UCSF

ZINC45007645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 18 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) 3.58 8.02 -5.16 0 3 0 30 269.772 6
Mid Mid (pH 6-8) 3.58 9.99 -38.17 1 3 1 31 270.78 6

Activity (Go SEA)

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