UCSF

ZINC33994732

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 18 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) 2.53 5.52 -41.8 4 3 1 57 249.378 8
Mid Mid (pH 6-8) 2.53 5.22 -6.67 3 3 0 55 248.37 8

Activity (Go SEA)

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