UCSF

ZINC40337124

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 17 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) 1.24 3.85 -37.99 4 4 1 60 254.379 3
Lo Low (pH 4.5-6) 1.24 3.69 -81.86 5 4 2 61 255.387 3

Activity (Go SEA)

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