UCSF

ZINC40175259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 Yes

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Annotations

Vendors

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) 4.52 13.99 -40.59 1 5 1 47 455.376 6
Mid Mid (pH 6-8) 4.52 11.76 -6.19 0 5 0 46 454.368 6
Mid Mid (pH 6-8) 4.52 12.15 -27.44 1 5 1 47 455.376 6
Mid Mid (pH 6-8) 4.52 14.38 -83.28 2 5 2 48 456.384 6

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