UCSF

ZINC62962491

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) -0.89 -2.38 -65.4 3 5 1 74 263.383 3
Hi High (pH 8-9.5) -0.89 -2.75 -11.96 2 5 0 73 262.375 3
Lo Low (pH 4.5-6) -0.89 -0.68 -144.05 4 5 2 75 264.391 3

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

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