UCSF

ZINC55502100

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 22 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 6.03 -44.58 0 5 -1 79 308.398 6
Hi High (pH 8-9.5) 3.38 5.93 -12.73 0 5 0 79 308.398 7
Mid Mid (pH 6-8) 2.80 7.39 -6.81 0 5 0 73 309.406 7

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

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