UCSF

ZINC62937079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 No

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) 0.34 5.46 -44.09 2 7 0 94 297.355 5
Hi High (pH 8-9.5) 0.34 2.92 -52.72 1 7 -1 93 296.347 5

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

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