UCSF

ZINC41513625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 4.26 10.67 -42.29 2 5 1 68 395.523 7
Mid Mid (pH 6-8) 4.26 11.15 -29.05 1 5 0 71 394.515 7
Lo Low (pH 4.5-6) 4.26 11.06 -80.99 3 5 2 69 396.531 7

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

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