UCSF

ZINC53589255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 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) 2.02 5.48 -52.45 2 4 1 60 306.407 7
Hi High (pH 8-9.5) 2.02 4.13 -13.09 1 4 0 55 305.399 7

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

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