UCSF

ZINC33992259

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 13 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) -0.54 -2.25 -49.44 5 4 1 77 184.215 4
Hi High (pH 8-9.5) -0.54 -2.62 -8.44 4 4 0 76 183.207 4

Activity (Go SEA)

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