UCSF

ZINC18130819

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 25 Yes

CAS Number: 41598-07-6

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) 2.87 7.66 -51.2 2 5 -1 98 351.463 12
Lo Low (pH 4.5-6) 2.87 5.41 -12.19 3 5 0 95 352.471 12
Lo Low (pH 4.5-6) 2.87 5.68 -13.09 3 5 0 95 352.471 12
Lo Low (pH 4.5-6) 2.87 5.79 -11.71 3 5 0 95 352.471 12

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

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