UCSF

ZINC20463212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.35 5.12 -71.3 2 6 0 80 339.48 6
Lo Low (pH 4.5-6) 1.35 7.48 -131.65 3 6 1 81 340.488 6
Lo Low (pH 4.5-6) 1.35 6.08 -59.81 2 6 0 77 339.48 6

Activity (Go SEA)

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