UCSF

ZINC62956820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 No

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) 1.59 7.07 -38.92 4 5 1 60 278.424 3
Hi High (pH 8-9.5) 1.59 4.83 -6.18 3 5 0 59 277.416 3
Mid Mid (pH 6-8) 1.59 7.2 -93.84 5 5 2 62 279.432 3

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

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