UCSF

ZINC26894940

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 10 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) -0.11 -0.98 -49.18 4 3 1 57 148.226 6
Hi High (pH 8-9.5) -0.11 -1.57 -5.23 3 3 0 55 147.218 6

Activity (Go SEA)

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