UCSF

ZINC49289270

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 1.08 2.14 -7.42 3 6 0 91 252.318 4
Mid Mid (pH 6-8) 1.54 -0.41 -45.29 2 6 -1 94 251.31 4
Lo Low (pH 4.5-6) 1.54 0.68 -22 3 6 0 95 252.318 4

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

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