UCSF

ZINC65512013

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 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) -0.29 2.04 -16.14 0 7 0 76 326.422 4
Mid Mid (pH 6-8) -0.29 2.46 -46.42 1 7 1 77 327.43 4
Mid Mid (pH 6-8) -0.29 4.33 -58.66 1 7 1 77 327.43 4
Mid Mid (pH 6-8) -0.29 4.76 -123.87 2 7 2 78 328.438 4

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

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