UCSF

ZINC44930379

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 14 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) -1.15 -3.15 -36.33 1 8 -1 102 219.25 4
Hi High (pH 8-9.5) -1.15 -3.3 -100.34 0 8 -2 104 218.242 4
Lo Low (pH 4.5-6) -1.15 -2.9 -14.2 2 8 0 104 220.258 4

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

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