UCSF

ZINC34462275

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 11 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) -0.37 3.65 -11.11 0 3 0 51 151.213 5
Mid Mid (pH 6-8) -0.37 5.79 -60.93 1 3 1 52 152.221 5

Activity (Go SEA)

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