UCSF

ZINC64549358

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 41 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) 4.91 11.04 -52.6 5 9 1 132 552.655 10
Hi High (pH 8-9.5) 4.91 10.66 -78.31 4 9 0 130 551.647 10

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

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