UCSF

ZINC43968897

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.39 9.21 -121.28 3 3 2 34 291.483 6
Hi High (pH 8-9.5) 3.39 8.5 -38.23 2 3 1 29 290.475 6
Mid Mid (pH 6-8) 3.39 6.87 -36.94 2 3 1 33 290.475 6

Activity (Go SEA)

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