UCSF

ZINC06777970

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 24 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) 3.57 7.39 -49.89 0 6 -1 79 349.432 7
Mid Mid (pH 6-8) 3.57 7.26 -14 1 6 0 77 350.44 7

Activity (Go SEA)

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