UCSF

ZINC33902517

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 28 No

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) 4.79 11.45 -10.43 0 5 0 40 418.324 6
Mid Mid (pH 6-8) 4.79 11.96 -47.45 1 5 1 41 419.332 6

Activity (Go SEA)

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