UCSF

ZINC71514600

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 29 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) 3.71 7.41 -19.7 2 8 0 114 452.583 8
Mid Mid (pH 6-8) 4.17 5.94 -46.48 1 8 -1 117 451.575 8

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

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