UCSF

ZINC04044009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 29 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) 3.72 0.03 -10.29 0 5 0 68 388.467 5
Mid Mid (pH 6-8) 3.91 -0.87 -11.15 0 5 0 68 388.467 5
Mid Mid (pH 6-8) 3.72 -0.1 -12.42 0 5 0 68 388.467 5
Lo Low (pH 4.5-6) 3.72 0.19 -29.51 1 5 1 69 389.475 5
Lo Low (pH 4.5-6) 3.72 0.07 -35.19 1 5 1 69 389.475 5
Lo Low (pH 4.5-6) 3.91 -0.7 -36.45 1 5 1 69 389.475 5

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