UCSF

ZINC39303369

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) -0.31 0.34 -39.96 7 5 1 107 179.203 3
Mid Mid (pH 6-8) -0.44 -0.19 -11.63 6 5 0 108 178.195 2

Activity (Go SEA)

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