UCSF

ZINC71495576

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 10 Yes

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Annotations

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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) 1.41 -0.3 -4.38 1 2 0 21 155.222 1
Mid Mid (pH 6-8) 1.41 1.72 -42.95 2 2 1 26 156.23 1

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

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