UCSF

ZINC65406187

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2011 22 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) 4.05 7.96 -49.11 2 3 1 35 308.348 7
Mid Mid (pH 6-8) 4.05 6.82 -5.96 1 3 0 30 307.34 7

Activity (Go SEA)

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