UCSF

ZINC19318708

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 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) 2.51 6.9 -39.71 1 3 1 25 277.432 1
Hi High (pH 8-9.5) 2.51 4.99 -3.66 0 3 0 24 276.424 1
Lo Low (pH 4.5-6) 2.51 6.83 -37.83 1 3 1 25 277.432 1

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

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