UCSF

ZINC40398206

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 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) 1.35 3.83 -90.65 5 2 2 44 180.295 4
Hi High (pH 8-9.5) 1.35 3.43 -35.88 4 2 1 43 179.287 4

Activity (Go SEA)

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