UCSF

ZINC06655690

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.22 -1.5 -34.7 3 6 1 94 200.17 2
Hi High (pH 8-9.5) 0.59 0.69 -47.83 1 6 -1 92 198.154 3
Mid Mid (pH 6-8) 0.59 -0.12 -21.82 2 6 0 89 199.162 3

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

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