UCSF

ZINC37290971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 0.92 1.91 -47.01 3 5 1 58 282.339 4
Hi High (pH 8-9.5) 0.92 0.57 -9.59 2 5 0 54 281.331 4
Lo Low (pH 4.5-6) 0.92 2.82 -39.7 3 5 1 55 282.339 4
Lo Low (pH 4.5-6) 0.92 4.14 -122.52 4 5 2 59 283.347 4

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

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