UCSF

ZINC41085122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 13 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) 1.07 0.6 -44.58 5 3 1 71 179.243 3
Mid Mid (pH 6-8) 1.07 0.65 -6.37 4 3 0 69 178.235 3

Activity (Go SEA)

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