UCSF

ZINC34667182

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 1.15 -0.39 -9.76 1 7 0 64 366.458 8
Mid Mid (pH 6-8) 1.15 1.97 -44.75 2 7 1 65 367.466 8

Activity (Go SEA)

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