UCSF

ZINC62792992

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 16 No

Popular Name: [3-chloro-4-(1,4-thiazepan-4-yl)phenyl]methanamine [3-chloro-4-(1,4-thiazepan-4-yl)…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 6.5 -48.08 3 2 1 31 257.81 2 ↓
Hi High (pH 8-9.5) 2.49 6.1 -2.81 2 2 0 29 256.802 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.