UCSF

ZINC07051170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 28 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) 4.27 -7.17 -14.38 2 6 0 92 416.524 6
Hi High (pH 8-9.5) 4.27 -6.59 -45.66 1 6 -1 94 415.516 6
Hi High (pH 8-9.5) 4.27 -6.59 -46.95 1 6 -1 94 415.516 6
Hi High (pH 8-9.5) 4.27 -6.02 -100.74 0 6 -2 96 414.508 6

Activity (Go SEA)

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