UCSF

ZINC05066899

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 22 Yes

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) -0.40 -2.06 -37.55 3 7 0 103 303.318 4
Mid Mid (pH 6-8) -0.40 -1.85 -80.7 4 7 1 105 304.326 4

Activity (Go SEA)

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