UCSF

ZINC19445575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 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) 2.63 5.73 -18.43 2 7 0 97 404.47 5
Hi High (pH 8-9.5) 3.09 4.89 -53.7 1 7 -1 100 403.462 5

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

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