UCSF

ZINC70288230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 20 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) 1.47 3.23 -42.68 3 4 1 49 277.388 4
Hi High (pH 8-9.5) 1.47 2.85 -4.22 2 4 0 48 276.38 4
Lo Low (pH 4.5-6) 1.47 4.86 -110.45 4 4 2 51 278.396 4

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

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