UCSF

ZINC40807314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 0.82 3.33 -96.46 5 4 2 61 231.384 5
Mid Mid (pH 6-8) 0.82 3 -38.63 4 4 1 60 230.376 5

Activity (Go SEA)

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