UCSF

ZINC67965001

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 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) 1.92 10.61 -88.6 2 5 2 32 360.546 4
Hi High (pH 8-9.5) 1.92 8.37 -39.69 1 5 1 31 359.538 4
Lo Low (pH 4.5-6) 1.92 11.78 -182.8 3 5 3 34 361.554 4

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

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