UCSF

ZINC39365859

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 15 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) -0.77 3.94 -35.4 4 4 0 84 204.229 3
Hi High (pH 8-9.5) -0.77 3.61 -44.35 3 4 -1 82 203.221 3

Activity (Go SEA)

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