UCSF

ZINC54274702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 26 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) 1.19 11.15 -10.62 2 9 0 100 355.45 4
Lo Low (pH 4.5-6) 1.19 11.35 -30.59 3 9 1 101 356.458 4
Lo Low (pH 4.5-6) 1.19 11.5 -32.38 3 9 1 101 356.458 4

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

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