UCSF

ZINC65164123

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 16 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) -0.06 4.98 -47.64 2 5 1 59 222.268 1
Mid Mid (pH 6-8) -0.06 4.47 -17.41 1 5 0 58 221.26 1
Mid Mid (pH 6-8) -0.06 4.52 -13.16 1 5 0 58 221.26 1

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

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