UCSF

ZINC45966644

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 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) 1.89 7.69 -9.56 1 5 0 53 357.498 6
Mid Mid (pH 6-8) 1.89 8.98 -54.31 2 5 1 57 358.506 6

Activity (Go SEA)

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