UCSF

ZINC48948136

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 0.14 3 -9.61 3 6 0 88 263.345 4
Mid Mid (pH 6-8) 0.14 2.98 -41.87 4 6 1 90 264.353 4
Lo Low (pH 4.5-6) 0.14 3.1 -91.64 5 6 2 91 265.361 4
Lo Low (pH 4.5-6) 0.14 3.11 -29.27 4 6 1 89 264.353 4

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

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