UCSF

ZINC08440770

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 35 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) 4.38 0.44 -12.67 0 7 0 83 477.557 9
Mid Mid (pH 6-8) 4.56 0.68 -13.96 0 7 0 83 477.557 9
Mid Mid (pH 6-8) 4.56 1.67 -13.35 0 7 0 83 477.557 9
Mid Mid (pH 6-8) 4.38 0.38 -15.82 0 7 0 83 477.557 9

Activity (Go SEA)

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