UCSF

ZINC40147216

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 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) 6.34 14.71 -15.7 1 6 0 84 516.022 9
Mid Mid (pH 6-8) 6.53 13.23 -46.47 0 6 -1 91 515.014 9

Activity (Go SEA)

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