UCSF

ZINC14534712

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 2.64 10.91 -17.67 2 10 0 118 518.618 9
Lo Low (pH 4.5-6) 2.64 11.18 -43.72 3 10 1 120 519.626 9
Lo Low (pH 4.5-6) 2.64 11.19 -46.55 3 10 1 120 519.626 9
Lo Low (pH 4.5-6) 2.64 11.46 -99.93 4 10 2 121 520.634 9

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

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