UCSF

ZINC09804881

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 31 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) 7.17 0.62 -5.74 0 4 0 55 441.999 4
Mid Mid (pH 6-8) 7.35 0.78 -6.9 0 4 0 55 441.999 4
Mid Mid (pH 6-8) 7.35 1.85 -6.24 0 4 0 55 441.999 4
Mid Mid (pH 6-8) 7.17 0.66 -8.99 0 4 0 55 441.999 4

Activity (Go SEA)

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