UCSF

ZINC54794249

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 20 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) 1.46 5.11 -33.15 3 5 1 54 281.424 7
Hi High (pH 8-9.5) 1.46 4.66 -7.7 2 5 0 53 280.416 7
Mid Mid (pH 6-8) 1.46 4.65 -41.1 3 5 1 58 281.424 7
Lo Low (pH 4.5-6) 1.46 6.33 -131.91 4 5 2 59 282.432 7

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

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