UCSF

ZINC69190034

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 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) 2.97 5.75 -10.47 3 5 0 81 305.403 6
Lo Low (pH 4.5-6) 2.97 6.44 -96.27 5 5 2 84 307.419 6
Lo Low (pH 4.5-6) 2.97 6.05 -46.74 4 5 1 83 306.411 6

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

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