UCSF

ZINC70304556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 0.56 3.63 -87.86 4 8 0 118 295.343 6
Hi High (pH 8-9.5) 0.56 2.19 -73.38 3 8 -1 113 294.335 6
Lo Low (pH 4.5-6) 0.56 4 -72.27 5 8 1 119 296.351 6

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

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