UCSF

ZINC55080304

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.96 8.25 -105.66 4 5 2 53 289.427 4
Hi High (pH 8-9.5) 1.96 5.93 -9.44 2 5 0 50 287.411 4
Hi High (pH 8-9.5) 1.96 7.86 -37.01 3 5 1 51 288.419 4
Hi High (pH 8-9.5) 1.96 6.36 -53.36 3 5 1 51 288.419 4

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

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