UCSF

ZINC52345502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 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) 2.56 7.8 -91.54 3 3 2 34 283.485 6
Hi High (pH 8-9.5) 2.56 4.04 -3.18 1 3 0 28 281.469 6
Hi High (pH 8-9.5) 2.56 6.34 -32.82 2 3 1 29 282.477 6

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

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