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)	4.36	9.39	-11.11	2	7	0	88	479.303	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.36	5.29	-30.58	3	7	1	89	480.311	5	↓ MOL2 SDF SMILES Flexibase

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	11	0.43	Binding ≤ 10μM
HS90B-1-E	Heat Shock Protein HSP 90-beta (cluster #1 Of 3), Eukaryotic	Eukaryotes	100	0.38	Functional ≤ 10μM
Z80244-2-O	MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other	Other	184	0.36	Functional ≤ 10μM
Z80475-3-O	SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other	Other	90	0.38	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	10.8	0.43	Binding ≤ 1μM
HS90B_HUMAN	P08238	Heat Shock Protein HSP 90-beta, Human	10.8	0.43	Binding ≤ 10μM
HS90B_HUMAN	P08238	Heat Shock Protein HSP 90-beta, Human	100	0.38	Functional ≤ 10μM
Z80244	Z80244	MDA-MB-468 (Breast Adenocarcinoma)	170	0.36	Functional ≤ 10μM
Z80475	Z80475	SK-BR-3 (Breast Adenocarcinoma)	90	0.38	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)