UCSF

ZINC42779088

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 1.78 3.94 -7.57 1 3 0 36 234.221 5
Mid Mid (pH 6-8) 1.78 4.24 -30.1 2 3 1 38 235.229 5

Activity (Go SEA)

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