UCSF

ZINC06728380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 28 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) 2.86 5.54 -60.84 1 6 -1 90 400.838 7
Mid Mid (pH 6-8) 3.30 -2.67 -26.43 2 6 0 87 401.846 6
Mid Mid (pH 6-8) 2.27 -2.45 -16.59 1 6 0 83 401.846 7

Activity (Go SEA)

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