UCSF

ZINC41529169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 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) 3.46 4.85 -40.86 1 4 0 62 324.452 3
Hi High (pH 8-9.5) 3.46 4.45 -48.51 0 4 -1 61 323.444 3
Mid Mid (pH 6-8) 3.46 4.86 -34.22 2 4 1 60 325.46 3
Mid Mid (pH 6-8) 3.46 4.46 -11.65 1 4 0 59 324.452 3

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

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