UCSF

ZINC67975838

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 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) 2.06 7.38 -55.38 3 7 1 85 381.456 4
Hi High (pH 8-9.5) 2.06 5.15 -21.21 2 7 0 84 380.448 4

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

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