UCSF

ZINC54898519

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 26 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) 2.72 7.34 -11.59 2 5 0 61 361.392 8
Hi High (pH 8-9.5) 2.91 6.49 -52.56 1 5 -1 68 360.384 8
Lo Low (pH 4.5-6) 2.72 7.78 -86.09 3 5 0 63 362.4 8

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

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