UCSF

ZINC43252729

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.60 9.27 -126.89 4 2 2 32 322.905 6
Hi High (pH 8-9.5) 3.60 7.05 -1.94 2 2 0 29 320.889 6
Mid Mid (pH 6-8) 3.60 7.79 -36.56 3 2 1 31 321.897 6

Activity (Go SEA)

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