UCSF

ZINC71564995

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 27 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) 3.87 7.89 -50.91 0 6 -1 87 405.452 7
Mid Mid (pH 6-8) 4.80 8.19 -13.54 1 6 0 89 406.46 6

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

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