UCSF

ZINC67172705

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 25 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) 1.00 3.36 -18.9 3 8 0 107 369.491 6
Hi High (pH 8-9.5) 1.00 3.37 -20 3 8 0 107 369.491 6
Lo Low (pH 4.5-6) 1.00 3.71 -15.8 4 8 0 108 370.499 6

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

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