UCSF

ZINC40498949

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 1.62 3.19 -42.99 0 7 -1 88 328.348 6
Lo Low (pH 4.5-6) 1.17 5.25 -9.22 1 7 0 85 329.356 6

Activity (Go SEA)

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