UCSF

ZINC12402772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 0.65 -12.27 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.45 0.72 -12.11 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.45 1.96 -14.29 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.27 0.76 -13.44 0 8 0 101 481.526 6

Activity (Go SEA)

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