UCSF

ZINC44726857

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) 0.68 2.02 -40.04 4 4 1 66 217.333 6
Mid Mid (pH 6-8) 0.68 1.69 -5.79 3 4 0 64 216.325 6

Activity (Go SEA)

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