UCSF

ZINC14289669

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 25 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) 1.60 5.41 -20.71 3 6 0 90 336.395 7
Mid Mid (pH 6-8) 1.60 5.7 -39.9 4 6 1 91 337.403 7

Activity (Go SEA)

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