UCSF

ZINC25461911

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 3.56 10.37 -41.31 2 3 1 34 343.516 6
Mid Mid (pH 6-8) 3.56 8.27 -7.52 1 3 0 32 342.508 6

Activity (Go SEA)

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