UCSF

ZINC69489630

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 0.65 8.8 -39.63 1 5 1 48 272.357 1
Hi High (pH 8-9.5) 0.65 8.34 -12.38 0 5 0 47 271.349 1
Lo Low (pH 4.5-6) 0.65 9.26 -76.66 2 5 2 49 273.365 1

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

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