UCSF

ZINC65530620

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 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) 0.29 3.58 -22.71 2 9 0 108 374.397 5
Hi High (pH 8-9.5) 0.47 0.98 -70.14 1 9 -1 114 373.389 5
Lo Low (pH 4.5-6) 0.29 5.85 -53.91 3 9 1 109 375.405 5

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

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