UCSF

ZINC07274672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2006 26 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) 1.34 6.52 -56.6 0 6 -1 83 351.382 7
Lo Low (pH 4.5-6) 0.76 -0.86 -11.75 0 6 0 76 352.39 7
Lo Low (pH 4.5-6) 1.34 -0.63 -51.05 2 6 1 80 353.398 7
Lo Low (pH 4.5-6) 1.34 5.76 -13 1 6 0 80 352.39 7

Activity (Go SEA)

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