UCSF

ZINC62840915

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 19 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) -1.23 -1.72 -51.68 4 7 1 100 291.397 2
Hi High (pH 8-9.5) -1.23 -1.23 -64.94 3 7 0 98 290.389 2

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

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