UCSF

ZINC70004613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 12 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) -0.15 0.19 -47.78 3 4 1 67 186.26 2
Hi High (pH 8-9.5) -0.15 -0.21 -6.82 2 4 0 65 185.252 2

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

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