UCSF

ZINC12231453

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 26 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 2.47 -10.39 0 9 0 89 360.418 6
Mid Mid (pH 6-8) 1.71 2.63 -31.35 1 9 1 90 361.426 6

Activity (Go SEA)

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