UCSF

ZINC41679940

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) -0.40 2.24 -47.77 4 5 1 83 217.289 7
Hi High (pH 8-9.5) -0.40 1.4 -12.87 3 5 0 81 216.281 7

Activity (Go SEA)

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