UCSF

ZINC34204852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 12 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) -0.54 0.05 -45.24 4 3 1 53 186.304 5
Mid Mid (pH 6-8) -0.54 1.41 -112.64 5 3 2 57 187.312 5

Activity (Go SEA)

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