UCSF

ZINC69699970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 Yes

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) 2.37 4.97 -8.79 0 4 0 34 308.378 3
Lo Low (pH 4.5-6) 2.37 7.57 -32.21 1 4 1 36 309.386 3

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

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