UCSF

ZINC15937437

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 38 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) 4.71 14.63 -14.36 1 8 0 82 515.61 11
Lo Low (pH 4.5-6) 4.71 15.45 -43.94 2 8 1 83 516.618 11
Lo Low (pH 4.5-6) 4.71 14.32 -45.93 2 8 1 83 516.618 10

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

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