UCSF

ZINC42556944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 4.51 9.65 -37.89 1 2 1 28 237.411 6
Hi High (pH 8-9.5) 4.51 7.42 -5.49 0 2 0 27 236.403 6

Activity (Go SEA)

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