UCSF

ZINC54931303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 No

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) 1.82 3.49 -10.47 3 4 0 64 206.274 2
Mid Mid (pH 6-8) 1.82 3.65 -25.47 4 4 1 65 207.282 2
Lo Low (pH 4.5-6) 1.82 3.7 -27.84 4 4 1 65 207.282 2

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

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