UCSF

ZINC64539225

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 42 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) 5.08 12.82 -60.48 5 11 -1 168 574.706 15
Lo Low (pH 4.5-6) 5.08 12.69 -70.91 6 11 0 169 575.714 15

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

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