UCSF

ZINC39852620

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 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) 3.49 7.95 -14.98 2 6 0 70 440.975 9
Mid Mid (pH 6-8) 3.49 10.24 -49.66 3 6 1 71 441.983 9

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