UCSF

ZINC49548805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 24 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) 2.49 6.4 -11.24 1 5 0 63 338.798 3
Ref Reference (pH 7) 2.30 8.13 -13.37 1 5 0 60 338.798 3
Lo Low (pH 4.5-6) 2.49 6.88 -40.48 2 5 1 65 339.806 3
Lo Low (pH 4.5-6) 2.30 8.63 -43.18 2 5 1 61 339.806 3

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

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