UCSF

ZINC01692748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 30 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) 8.55 17.09 -6.35 0 2 0 25 396.578 10
Lo Low (pH 4.5-6) 8.55 16.71 -37.69 1 2 1 26 397.586 10
Lo Low (pH 4.5-6) 8.55 16.72 -42.31 1 2 1 26 397.586 10
Lo Low (pH 4.5-6) 8.55 16.63 -36.49 1 2 1 26 397.586 10
Lo Low (pH 4.5-6) 8.55 17.45 -36.12 1 2 1 26 397.586 10
Lo Low (pH 4.5-6) 8.55 16.04 -37.61 1 2 1 26 397.586 10

Activity (Go SEA)

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