UCSF

ZINC69564992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 20 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) 1.30 0.81 -9.38 2 6 0 91 378.273 7
Lo Low (pH 4.5-6) 1.30 1.16 -46.75 3 6 1 93 379.281 7

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

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