UCSF

ZINC59417140

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 25 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) 4.60 5.95 -9.01 1 4 0 51 357.303 7
Hi High (pH 8-9.5) 4.60 7.99 -54.66 0 4 -1 54 356.295 7
Hi High (pH 8-9.5) 4.60 6.86 -43.79 0 4 -1 54 356.295 7
Lo Low (pH 4.5-6) 4.60 7.52 -9.7 2 4 0 53 358.311 7
Lo Low (pH 4.5-6) 4.60 6.38 -36.28 2 4 1 53 358.311 7

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

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