UCSF

ZINC44930088

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.61 0.05 -92.92 1 9 -2 139 350.143 5
Lo Low (pH 4.5-6) 0.61 0.19 -46.49 2 9 -1 141 351.151 5

Activity (Go SEA)

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

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