UCSF

ZINC39853866

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 No

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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) 4.55 8.74 -11.93 1 5 0 64 338.407 6
Hi High (pH 8-9.5) 4.55 9.87 -63.2 0 5 -1 67 337.399 6
Hi High (pH 8-9.5) 4.55 9.05 -55.85 0 5 -1 67 337.399 6

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