UCSF

ZINC29143875

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 25 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) 3.69 6.26 -19.15 2 6 0 81 356.403 5
Hi High (pH 8-9.5) 3.21 6.38 -123.35 0 6 -2 90 354.387 5
Mid Mid (pH 6-8) 3.69 7.28 -55.9 1 6 -1 84 355.395 5

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

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