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)	3.68	9.55	-45.37	1	5	1	39	392.523	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.68	9.56	-47.36	1	5	1	39	392.523	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.68	7.3	-9.74	0	5	0	38	391.515	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.68	9.93	-79.02	2	5	2	40	393.531	7	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
5HT1A-3-E	Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic	Eukaryotes	50	0.35	Binding ≤ 10μM
5HT1B-1-E	Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	501	0.30	Binding ≤ 10μM
5HT1D-1-E	Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	13	0.38	Binding ≤ 10μM
SC6A4-1-E	Serotonin Transporter (cluster #1 Of 4), Eukaryotic	Eukaryotes	398	0.31	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
5HT1A_HUMAN	P08908	Serotonin 1a (5-HT1a) Receptor, Human	5.01187234	0.40	Binding ≤ 1μM
5HT1B_HUMAN	P28222	Serotonin 1b (5-HT1b) Receptor, Human	501.187234	0.30	Binding ≤ 1μM
5HT1D_HUMAN	P28221	Serotonin 1d (5-HT1d) Receptor, Human	12.5892541	0.38	Binding ≤ 1μM
SC6A4_RAT	P31652	Serotonin Transporter, Rat	398.107171	0.31	Binding ≤ 1μM
5HT1A_HUMAN	P08908	Serotonin 1a (5-HT1a) Receptor, Human	5.01187234	0.40	Binding ≤ 10μM
5HT1B_HUMAN	P28222	Serotonin 1b (5-HT1b) Receptor, Human	501.187234	0.30	Binding ≤ 10μM
5HT1D_HUMAN	P28221	Serotonin 1d (5-HT1d) Receptor, Human	12.5892541	0.38	Binding ≤ 10μM
SC6A4_RAT	P31652	Serotonin Transporter, Rat	398.107171	0.31	Binding ≤ 10μM