UCSF

ZINC49474907

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 17 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) 1.60 6.18 -81.88 4 3 2 33 243.439 9
Lo Low (pH 4.5-6) 1.60 7.52 -195.76 5 3 3 38 244.447 9

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

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