UCSF

ZINC20551078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 16 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) 2.18 3.07 -46.97 3 3 1 46 228.287 6
Mid Mid (pH 6-8) 2.18 3.8 -69.24 2 3 0 49 227.279 6

Activity (Go SEA)

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