UCSF

ZINC70101808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 18 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) 1.80 7.37 -58.93 1 4 -1 69 250.318 5
Lo Low (pH 4.5-6) 1.80 6.3 -10.81 2 4 0 66 251.326 5

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

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