UCSF

ZINC36333066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 27 No

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Annotations

Vendors

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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) 1.74 5.18 -51.95 1 9 -1 135 390.397 5
Mid Mid (pH 6-8) 1.74 4.23 -44.72 1 9 -1 135 390.397 5
Mid Mid (pH 6-8) 1.74 4.19 -24.81 2 9 0 133 391.405 5
Mid Mid (pH 6-8) 1.74 5.21 -93.34 0 9 -2 137 389.389 5

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

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