UCSF

ZINC53381812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 15 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) 1.50 3.3 -38.31 2 3 1 29 213.345 5
Lo Low (pH 4.5-6) 1.50 5.49 -112.17 3 3 2 30 214.353 5

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

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