UCSF

ZINC39050970

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 9 No

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 2.84 -38.11 3 3 1 51 122.151 2
Mid Mid (pH 6-8) 0.37 2.3 -8.96 2 3 0 51 121.143 1

Activity (Go SEA)

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