UCSF

ZINC05843326

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 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) 1.20 3.97 -15.46 0 6 0 71 323.399 3
Lo Low (pH 4.5-6) 1.20 4.5 -32.79 1 6 1 72 324.407 3

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

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