UCSF

ZINC69797584

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 0.82 2.39 -36.13 2 4 1 42 225.312 4
Hi High (pH 8-9.5) 0.82 1.03 -3.75 1 4 0 38 224.304 4
Lo Low (pH 4.5-6) 0.82 4.79 -98.05 3 4 2 43 226.32 4

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

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