UCSF

ZINC58246430

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 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) 0.83 1.55 -8.27 1 7 0 86 235.247 4
Lo Low (pH 4.5-6) 0.83 1.92 -38.43 2 7 1 87 236.255 4

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

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