UCSF

ZINC43895586

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.92 9.91 -108.06 3 3 2 30 294.483 9
Mid Mid (pH 6-8) 3.92 9.17 -26.09 2 3 1 26 293.475 9
Mid Mid (pH 6-8) 3.92 8.55 -30.86 2 3 1 29 293.475 9

Activity (Go SEA)

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