UCSF

ZINC36755721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 3.21 6.54 -7.94 0 3 0 39 247.729 3
Lo Low (pH 4.5-6) 3.21 6.94 -30.37 1 3 1 40 248.737 3

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

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