UCSF

ZINC65525810

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 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) 1.84 4.25 -45.71 4 5 1 75 288.371 4
Hi High (pH 8-9.5) 1.84 3.16 -8.59 3 5 0 70 287.363 4
Lo Low (pH 4.5-6) 1.84 3.63 -33.25 4 5 1 71 288.371 4
Lo Low (pH 4.5-6) 1.84 4.71 -104.32 5 5 2 76 289.379 4

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

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