UCSF

ZINC02171243

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 25 No

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) 6.97 12.88 -6.69 0 1 0 12 323.439 2
Ref Reference (pH 7) 6.97 15.04 -6.95 0 1 0 12 323.439 2
Lo Low (pH 4.5-6) 6.97 13.3 -33.74 1 1 1 14 324.447 2
Lo Low (pH 4.5-6) 6.97 14.75 -26.3 1 1 1 14 324.447 2

Activity (Go SEA)

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