UCSF

ZINC36980453

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.79 7.85 -6.73 1 3 0 38 285.334 7
Mid Mid (pH 6-8) 3.79 8.62 -28.08 2 3 1 43 286.342 7

Activity (Go SEA)

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