UCSF

ZINC40022810

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 25 No

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Annotations

Vendors

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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) 3.19 8.33 -59.38 0 5 -1 74 336.367 6
Mid Mid (pH 6-8) 3.19 7.57 -12.08 1 5 0 71 337.375 6

Activity (Go SEA)

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