UCSF

ZINC41677859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 No

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) 2.36 8.48 -32.52 1 5 0 48 291.424 6
Hi High (pH 8-9.5) 2.36 6.91 -45.23 0 5 -1 47 290.416 6
Lo Low (pH 4.5-6) 1.64 8.36 -37.74 2 5 1 51 292.432 6

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

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