UCSF

ZINC54893945

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 3.38 3.48 -13.45 2 6 0 88 362.451 7
Ref Reference (pH 7) 3.38 4.63 -14.64 2 6 0 88 362.451 7
Hi High (pH 8-9.5) 3.38 5.62 -109.91 0 6 -2 93 360.435 7
Hi High (pH 8-9.5) 3.38 4.47 -104.29 0 6 -2 93 360.435 7
Mid Mid (pH 6-8) 3.38 4.71 -47.15 1 6 -1 90 361.443 7
Mid Mid (pH 6-8) 3.38 3.54 -43.6 1 6 -1 90 361.443 7
Lo Low (pH 4.5-6) 3.38 5.1 -13.15 3 6 0 90 363.459 7
Lo Low (pH 4.5-6) 3.38 3.89 -44.62 3 6 1 90 363.459 7

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

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