UCSF

ZINC69874627

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 21 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) 0.36 5.06 -37.15 1 6 1 60 313.447 6
Hi High (pH 8-9.5) 0.36 4.66 -17.58 0 6 0 58 312.439 6
Lo Low (pH 4.5-6) 0.36 6.87 -53.01 1 6 1 60 313.447 6

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

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