UCSF

ZINC43902546

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.58 10.4 -111.57 3 2 2 21 274.452 3
Hi High (pH 8-9.5) 3.58 8.49 -35.62 2 2 1 20 273.444 3
Hi High (pH 8-9.5) 3.58 9.44 -31.71 2 2 1 16 273.444 3

Activity (Go SEA)

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