UCSF

ZINC65548202

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 24 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) 1.34 2.93 -13.95 3 7 0 94 326.356 1
Hi High (pH 8-9.5) 1.52 0.3 -44.98 2 7 -1 101 325.348 1

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

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