UCSF

ZINC42811727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 3.22 7.51 -39.72 2 2 1 26 274.306 5
Mid Mid (pH 6-8) 3.22 6.49 -5.7 1 2 0 21 273.298 5

Activity (Go SEA)

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