UCSF

ZINC41998624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 18 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) -2.06 -0.41 -29.07 3 8 0 111 250.214 3
Mid Mid (pH 6-8) -1.88 -3.11 -62.31 2 8 -1 118 249.206 3

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

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