UCSF

ZINC69739639

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 No

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) 1.31 4.16 -38.21 1 11 -1 154 347.311 7
Lo Low (pH 4.5-6) 1.31 4.14 -9.94 2 11 0 156 348.319 7

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

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