UCSF

ZINC58307513

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 22 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) -0.76 -7.11 -115.33 2 10 -2 168 324.274 3
Mid Mid (pH 6-8) -1.21 -3.84 -41.83 3 10 -1 165 325.282 3

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

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