UCSF

ZINC04910177

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 20 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) 2.36 10 -11.96 0 4 0 36 272.348 8
Mid Mid (pH 6-8) 2.36 10.52 -36.81 1 4 1 38 273.356 8

Activity (Go SEA)

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