UCSF

ZINC61497548

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 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) 0.40 1.52 -49.62 3 5 1 79 269.328 3
Hi High (pH 8-9.5) 0.40 1.16 -9.07 2 5 0 78 268.32 3
Lo Low (pH 4.5-6) 0.40 1.92 -87.87 4 5 2 81 270.336 3

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

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