UCSF

ZINC43394992

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 3.21 7.78 -34.85 2 2 1 29 261.414 3
Mid Mid (pH 6-8) 3.21 6.65 -5.63 1 2 0 25 260.406 3

Activity (Go SEA)

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