UCSF

ZINC26378992

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 24 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) 4.67 11.19 -37.19 1 3 1 27 339.484 6
Hi High (pH 8-9.5) 4.67 8.66 -9.01 0 3 0 25 338.476 6

Activity (Go SEA)

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