UCSF

ZINC49349009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 Yes

Popular Name: N-[2-(5-chloro-2-thienyl)ethyl]-1H-benzotriazole-5-carboxamide N-[2-(5-chloro-2-thienyl)ethyl]-…

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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) 2.96 4.3 -16.82 2 5 0 71 306.778 4 ↓
Hi High (pH 8-9.5) 2.96 4.17 -44.18 1 5 -1 69 305.77 4 ↓

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

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