UCSF

ZINC35018083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 0.51 3.54 -44.71 2 6 1 62 313.447 7
Hi High (pH 8-9.5) 0.51 2.21 -16.82 1 6 0 58 312.439 7
Lo Low (pH 4.5-6) 0.51 5.84 -117.18 3 6 2 63 314.455 7

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

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