UCSF

ZINC37869728

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 0.83 0.67 -37.61 4 5 1 78 239.295 6
Mid Mid (pH 6-8) 0.83 -0.44 -8.86 3 5 0 74 238.287 6

Activity (Go SEA)

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