UCSF

ZINC37079730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.38 2.36 -27.06 3 3 1 34 212.361 4
Hi High (pH 8-9.5) 0.38 2.65 -36.05 3 3 1 34 212.361 4
Mid Mid (pH 6-8) 0.38 4.76 -88.68 4 3 2 35 213.369 4
Mid Mid (pH 6-8) 0.38 2.73 -114.93 4 3 2 35 213.369 4

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

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