UCSF

ZINC39916897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 21 Yes

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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) 4.31 11.38 -34.9 1 3 1 22 286.443 6
Mid Mid (pH 6-8) 4.31 8.97 -8.51 0 3 0 21 285.435 6
Mid Mid (pH 6-8) 4.31 9.79 -22.57 1 3 1 22 286.443 6

Activity (Go SEA)

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