UCSF

ZINC14927283

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 19 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) 0.06 0.22 -19.66 3 6 0 92 280.353 5
Mid Mid (pH 6-8) 0.52 -0.43 -50.85 3 6 0 96 280.353 5

Activity (Go SEA)

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