UCSF

ZINC54742437

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.18 2.24 -42.27 3 4 1 55 301.16 0
Mid Mid (pH 6-8) -0.18 2.46 -4.99 2 4 0 54 300.152 0

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

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