UCSF

ZINC42456354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) 1.05 2.27 -5.43 1 3 0 47 170.256 4
Mid Mid (pH 6-8) 1.05 3.85 -44.79 2 3 1 48 171.264 4

Activity (Go SEA)

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