UCSF

ZINC49563916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 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) 0.90 1.18 -41.94 4 5 1 77 288.418 3
Hi High (pH 8-9.5) 0.90 -1.25 -8.43 3 5 0 75 287.41 3
Lo Low (pH 4.5-6) 0.90 1.03 -102.41 5 5 2 78 289.426 3

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

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