UCSF

ZINC62036232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 18 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) 0.82 5.8 -90.54 3 4 2 43 271.43 9
Hi High (pH 8-9.5) 0.82 2.16 -4.99 1 4 0 37 269.414 9
Mid Mid (pH 6-8) 0.82 3.45 -36.9 2 4 1 42 270.422 9

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

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