UCSF

ZINC09485243

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 16 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) 0.80 2.8 -52.19 0 6 -1 84 217.208 1
Lo Low (pH 4.5-6) 0.80 2 -18.16 1 6 0 81 218.216 1

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

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