UCSF

ZINC69561509

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 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) 1.32 6.91 -35.99 1 6 1 50 316.381 5
Hi High (pH 8-9.5) 1.32 6.44 -14 0 6 0 49 315.373 5
Lo Low (pH 4.5-6) 1.32 8.67 -49.54 1 6 1 50 316.381 5

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

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