UCSF

ZINC06667967

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 18 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) 1.96 0.92 -10.16 1 5 0 74 257.171 3
Hi High (pH 8-9.5) 2.55 3.72 -98.54 0 5 -2 80 255.155 3
Mid Mid (pH 6-8) 1.96 1.98 -46.35 0 5 -1 77 256.163 3
Lo Low (pH 4.5-6) 2.55 2.79 -31.48 1 5 -1 77 256.163 3

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

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