UCSF

ZINC12402804

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 30 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) 3.50 1.05 -12.61 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.68 1.16 -11.51 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.68 2.58 -25.92 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.50 0.93 -12.34 0 6 0 82 443.546 6

Activity (Go SEA)

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