UCSF

ZINC43608195

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 31 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) 3.84 13.48 -33.91 1 4 1 38 410.541 2
Mid Mid (pH 6-8) 3.84 13.85 -101.72 2 4 2 39 411.549 2

Activity (Go SEA)

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