UCSF

ZINC41679643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.80 4.42 -85.96 4 4 2 50 217.357 9
Hi High (pH 8-9.5) 0.80 3.06 -40.56 3 4 1 46 216.349 9

Activity (Go SEA)

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