Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	8.39	-47.42	4	8	1	105	466.385	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.11	8.64	-99.81	5	8	2	106	467.393	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.11	4.28	-87.03	5	8	2	106	467.393	7	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
ALOGPS_SOLUBILITY	4.43e-02 g/l	DrugBank-experimental

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HS90B-2-E	Heat Shock Protein HSP 90-beta (cluster #2 Of 2), Eukaryotic	Eukaryotes	55	0.36	Binding ≤ 10μM
HS90B-1-E	Heat Shock Protein HSP 90-beta (cluster #1 Of 3), Eukaryotic	Eukaryotes	5200	0.26	Functional ≤ 10μM
Z80244-2-O	MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other	Other	375	0.32	Functional ≤ 10μM
Z80475-3-O	SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other	Other	142	0.34	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
HS90B_HUMAN	P08238	Heat Shock Protein HSP 90-beta, Human	38.8	0.37	Binding ≤ 1μM
HS90B_HUMAN	P08238	Heat Shock Protein HSP 90-beta, Human	38.8	0.37	Binding ≤ 10μM
HS90B_HUMAN	P08238	Heat Shock Protein HSP 90-beta, Human	205	0.33	Functional ≤ 10μM
Z80244	Z80244	MDA-MB-468 (Breast Adenocarcinoma)	270	0.33	Functional ≤ 10μM
Z80475	Z80475	SK-BR-3 (Breast Adenocarcinoma)	142	0.34	Functional ≤ 10μM

Description	Species
Attenuation phase	Homo sapiens (HS90B_HUMAN)
HSF1 activation	Homo sapiens (HS90B_HUMAN)
HSF1-dependent transactivation	Homo sapiens (HS90B_HUMAN)
Regulation of actin dynamics for phagocytic cup formation	Homo sapiens (HS90B_HUMAN)
Sema3A PAK dependent Axon repulsion	Homo sapiens (HS90B_HUMAN)
The NLRP3 inflammasome	Homo sapiens (HS90B_HUMAN)