UCSF

ZINC49569774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 3.07 9.92 -49.1 1 3 1 22 308.808 3
Hi High (pH 8-9.5) 3.07 7.41 -6.74 0 3 0 21 307.8 3
Lo Low (pH 4.5-6) 3.07 10.36 -95.29 2 3 2 24 309.816 3

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

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