UCSF

ZINC72322781

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2012 25 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) 2.28 6.98 -13.39 1 6 0 67 336.395 3
Lo Low (pH 4.5-6) 2.28 7.4 -46.96 2 6 1 68 337.403 3

Activity (Go SEA)

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

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