UCSF

ZINC69513650

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 17 No

Popular Name: 4-amino-2-(1,4-thiazepan-4-yl)benzoic 4-amino-2-(1,4-thiazepan-4-yl)be…

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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) 1.79 6.7 -52.43 2 4 -1 69 251.331 2 ↓
Lo Low (pH 4.5-6) 1.79 4.71 -6.85 3 4 0 67 252.339 2 ↓

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Rings

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

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