UCSF

ZINC08740530

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 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) 1.46 0.84 -20.48 6 12 0 173 441.448 8
Lo Low (pH 4.5-6) 1.46 0.78 -37.91 7 12 1 174 442.456 8
Lo Low (pH 4.5-6) 1.46 -2.52 -39.74 7 12 1 174 442.456 8

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