UCSF

ZINC41679713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.62 5.38 -82.51 4 4 2 50 245.411 9
Hi High (pH 8-9.5) 1.62 4.15 -38.76 3 4 1 46 244.403 9

Activity (Go SEA)

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