UCSF

ZINC33818147

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 32 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) 4.72 9.89 -50.22 2 8 1 88 457.986 9
Lo Low (pH 4.5-6) 4.54 11.12 -80.89 3 8 2 86 458.994 10

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

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