UCSF

ZINC19838271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 20 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) 2.41 5.6 -47.69 3 5 1 63 281.376 6
Hi High (pH 8-9.5) 2.41 6.54 -81.1 2 5 0 66 280.368 6

Activity (Go SEA)

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