UCSF

ZINC40441850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 25 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) 4.21 7.36 -7.16 2 3 0 49 338.495 0
Lo Low (pH 4.5-6) 4.21 7.52 -34.76 3 3 1 50 339.503 0

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

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