UCSF

ZINC62804178

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 19 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) 0.22 -0.44 -50.95 2 6 1 74 262.289 4
Hi High (pH 8-9.5) 0.22 -1.69 -11.88 1 6 0 69 261.281 4

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

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