UCSF

ZINC19880942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 15 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) 2.00 2.71 -5.79 2 3 0 41 224.691 2
Mid Mid (pH 6-8) 2.00 2.65 -5.75 2 3 0 41 224.691 2
Mid Mid (pH 6-8) 2.00 3.86 -35.88 3 3 1 46 225.699 2
Mid Mid (pH 6-8) 2.00 3.85 -35.83 3 3 1 46 225.699 2

Activity (Go SEA)

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