UCSF

ZINC33995813

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 22 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) 3.39 7.77 -37.55 2 3 1 34 296.39 0
Hi High (pH 8-9.5) 3.39 5.39 -7.15 1 3 0 33 295.382 0

Activity (Go SEA)

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