UCSF

ZINC20358557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 29 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) 3.08 5.44 -14.75 1 7 0 81 397.427 5
Hi High (pH 8-9.5) 3.08 6.03 -46.27 0 7 -1 84 396.419 5
Lo Low (pH 4.5-6) 3.08 7.73 -52.42 2 7 1 83 398.435 5

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

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