UCSF

ZINC44994752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 17 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) 3.14 9.69 -44.07 1 2 1 22 238.395 3
Hi High (pH 8-9.5) 3.14 7.83 -3.61 0 2 0 20 237.387 3

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

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