UCSF

ZINC39301176

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 3.34 6.87 -15.27 5 10 0 127 463.542 9
Mid Mid (pH 6-8) 3.34 6.96 -37.86 6 10 1 128 464.55 9
Mid Mid (pH 6-8) 3.34 6.84 -39.03 6 10 1 128 464.55 9
Lo Low (pH 4.5-6) 3.34 9.23 -83.12 7 10 2 129 465.558 9
Lo Low (pH 4.5-6) 3.34 9.11 -86.36 7 10 2 129 465.558 9

Activity (Go SEA)

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