UCSF

ZINC17106417

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.85 5.4 -50.02 3 7 0 107 257.253 3
Mid Mid (pH 6-8) 0.39 6.47 -49.86 4 7 1 104 258.261 3
Mid Mid (pH 6-8) 0.85 4.98 -51.18 2 7 -1 106 256.245 3
Lo Low (pH 4.5-6) 0.85 5.32 -91.97 4 7 1 109 258.261 3

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

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