UCSF

ZINC42251988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 1.71 6.97 -35.46 1 4 1 34 241.355 6
Mid Mid (pH 6-8) 1.71 4.68 -5.15 0 4 0 33 240.347 6

Activity (Go SEA)

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