UCSF

ZINC71600367

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 15 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) 2.79 7.63 -40.49 2 2 1 20 270.194 1
Hi High (pH 8-9.5) 2.79 6.32 -1.96 1 2 0 15 269.186 1

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

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