UCSF

ZINC20457629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 22 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) -2.28 6.37 -64.95 3 6 -1 109 339.418 4
Hi High (pH 8-9.5) -2.28 4.73 -77.89 3 6 -1 109 339.418 4
Hi High (pH 8-9.5) -2.28 5.38 -87.31 2 6 -2 104 338.41 4
Mid Mid (pH 6-8) -2.28 7.63 -58.24 4 6 0 113 340.426 4

Activity (Go SEA)

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