UCSF

ZINC05717635

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 10 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) 0.70 4.71 -34.5 1 3 1 31 144.194 3
Mid Mid (pH 6-8) 0.70 1.68 -6.78 0 3 0 30 143.186 3

Activity (Go SEA)

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