UCSF

ZINC72284321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2012 18 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) 3.82 7.43 -37.24 2 2 1 20 247.406 6
Hi High (pH 8-9.5) 3.82 6.29 -1.83 1 2 0 15 246.398 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.