UCSF

ZINC66162484

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 25 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) 4.61 11.29 -45.5 2 3 1 35 334.439 9
Hi High (pH 8-9.5) 4.61 9.94 -8.24 1 3 0 30 333.431 9

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

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