UCSF

ZINC59458633

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.09 0.89 -53.45 6 7 1 123 299.395 6
Mid Mid (pH 6-8) -1.09 -0.5 -22.51 5 7 0 119 298.387 6
Mid Mid (pH 6-8) -1.09 1.19 -109.54 7 7 2 125 300.403 6
Mid Mid (pH 6-8) -1.09 -0.19 -58.58 6 7 1 120 299.395 6

Activity (Go SEA)

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