UCSF

ZINC48970554

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 No

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) 1.44 5.73 -30.62 4 5 1 80 290.416 5
Mid Mid (pH 6-8) 1.44 5.55 -43.14 4 5 1 81 290.416 5
Lo Low (pH 4.5-6) 1.44 5.66 -95.45 5 5 2 82 291.424 5

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

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