UCSF

ZINC62948538

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 16 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) 0.10 2.59 -46.32 2 4 1 40 226.344 1
Hi High (pH 8-9.5) 0.10 1.3 -7.87 1 4 0 36 225.336 1
Lo Low (pH 4.5-6) 0.10 3.47 -41.91 2 4 1 37 226.344 1
Lo Low (pH 4.5-6) 0.10 4.78 -121.16 3 4 2 41 227.352 1

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

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