UCSF

ZINC34407902

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 9 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) -0.50 0.11 -102.2 4 3 2 41 134.223 5
Mid Mid (pH 6-8) -0.50 -2.22 -37.96 3 3 1 40 133.215 5

Activity (Go SEA)

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