UCSF

ZINC53934388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 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) 2.15 6.91 -37.26 2 3 1 20 290.475 6
Hi High (pH 8-9.5) 2.15 7.93 -87.2 3 3 2 24 291.483 6
Hi High (pH 8-9.5) 2.15 5.79 -39.24 2 3 1 23 290.475 6
Lo Low (pH 4.5-6) 2.15 8.04 -115.34 3 3 2 24 291.483 6

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

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