UCSF

ZINC71488340

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 32 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) 4.58 9.16 -23.02 2 7 0 85 431.492 7
Lo Low (pH 4.5-6) 4.58 9.56 -33.88 3 7 1 87 432.5 7

Activity (Go SEA)

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

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