UCSF

ZINC17299092

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 11 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) -0.10 -1.6 -42.12 2 5 -1 85 150.117 0
Mid Mid (pH 6-8) 0.36 -5.91 -13.73 3 5 0 82 151.125 0
Mid Mid (pH 6-8) 0.36 -5.44 -44.7 4 5 1 83 152.133 0
Mid Mid (pH 6-8) -0.10 -1.15 -38.91 3 5 0 86 151.125 0
Mid Mid (pH 6-8) -0.10 -1.26 -34.4 3 5 0 86 151.125 0
Mid Mid (pH 6-8) -0.10 -1.12 -35.57 3 5 0 86 151.125 0

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

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