UCSF

ZINC04945233

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 25 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) -0.22 8.84 -56.41 2 9 1 91 347.399 4
Mid Mid (pH 6-8) -0.22 9.31 -108.73 3 9 2 92 348.407 4

Activity (Go SEA)

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