UCSF

ZINC37845346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.98 8.86 -39.56 1 4 1 30 339.257 2
Mid Mid (pH 6-8) 1.98 6.62 -6.44 0 4 0 28 338.249 2

Activity (Go SEA)

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