UCSF

ZINC49236620

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 20 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) 2.36 9.83 -12.64 0 4 0 36 292.745 4
Mid Mid (pH 6-8) 2.36 10.34 -48.1 1 4 1 37 293.753 4
Lo Low (pH 4.5-6) 2.36 10.77 -92.53 2 4 2 38 294.761 4

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

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