UCSF

ZINC69568479

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 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) 0.00 7.18 -37.56 1 5 1 43 277.392 3
Hi High (pH 8-9.5) 0.00 6.71 -11.91 0 5 0 41 276.384 3
Lo Low (pH 4.5-6) 0.00 8.94 -43.15 1 5 1 43 277.392 3

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

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