UCSF

ZINC43972149

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.98 10.31 -104.87 3 2 2 21 276.468 7
Hi High (pH 8-9.5) 3.98 9.17 -35.07 2 2 1 20 275.46 7
Mid Mid (pH 6-8) 3.98 9.56 -27.54 2 2 1 16 275.46 7

Activity (Go SEA)

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