UCSF

ZINC41730963

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 1.56 6.06 -34.83 2 4 0 66 233.267 5
Hi High (pH 8-9.5) 1.56 4.96 -50.65 1 4 -1 61 232.259 5

Activity (Go SEA)

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