UCSF

ZINC13127013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 28 Yes

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) 3.68 6.96 -13.18 2 6 0 78 397.862 6
Hi High (pH 8-9.5) 3.65 7.21 -56.22 0 6 -1 77 396.854 6
Hi High (pH 8-9.5) 3.65 7.42 -43.8 0 6 -1 77 396.854 6
Hi High (pH 8-9.5) 3.68 7.87 -43.45 1 6 -1 81 396.854 6
Mid Mid (pH 6-8) 3.68 7.73 -52.38 1 6 -1 81 396.854 6

Activity (Go SEA)

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