UCSF

ZINC63244353

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 19 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) -0.73 7.52 -23.43 2 9 0 114 258.245 2
Mid Mid (pH 6-8) -0.66 5.76 -59.61 1 9 -1 120 257.237 2
Mid Mid (pH 6-8) -0.73 7.33 -57.09 1 9 -1 112 257.237 2

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

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