UCSF

ZINC44689419

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.71 6.42 -39.36 4 4 1 55 269.372 3
Mid Mid (pH 6-8) 1.71 6.87 -85.72 5 4 2 57 270.38 3

Activity (Go SEA)

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