UCSF

ZINC19437574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 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) 2.34 2.66 -47.18 3 3 1 40 241.399 2
Lo Low (pH 4.5-6) 2.34 4.58 -129.85 4 3 2 41 242.407 2

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

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