UCSF

ZINC04170791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 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) 4.59 1.42 -8.89 0 4 0 55 407.482 7
Mid Mid (pH 6-8) 4.59 1.31 -12.79 0 4 0 55 407.482 7
Mid Mid (pH 6-8) 4.77 0.24 -10.66 0 4 0 55 407.482 7

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

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