UCSF

ZINC03637805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 Yes

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) 2.54 4.59 -6.03 3 3 0 55 227.189 2
Mid Mid (pH 6-8) 2.54 4.56 -6.89 3 3 0 55 227.189 2
Mid Mid (pH 6-8) 2.54 4.74 -37.83 4 3 1 56 228.197 2

Activity (Go SEA)

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