UCSF

ZINC59417143

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 24 No

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Annotations

None

Vendors

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) 4.27 5.5 -9.8 1 4 0 51 339.313 6
Hi High (pH 8-9.5) 4.27 7.56 -54.06 0 4 -1 54 338.305 6
Hi High (pH 8-9.5) 4.27 6.32 -47.45 0 4 -1 54 338.305 6
Lo Low (pH 4.5-6) 4.27 7.09 -8.15 2 4 0 53 340.321 6
Lo Low (pH 4.5-6) 4.27 5.93 -34.82 2 4 1 53 340.321 6

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

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