UCSF

ZINC33812754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 29 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) 3.08 0.61 -13.39 1 7 0 85 437.518 7
Mid Mid (pH 6-8) 3.08 2.98 -57.67 2 7 1 86 438.526 7

Activity (Go SEA)

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