UCSF

ZINC66074605

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 29 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) 4.72 13.4 -11.5 0 5 0 52 408.933 6
Mid Mid (pH 6-8) 4.72 13.99 -35.36 1 5 1 53 409.941 6
Lo Low (pH 4.5-6) 4.72 14.02 -47.79 2 5 0 55 410.949 6

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

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