UCSF

ZINC14221831

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.13 8.18 -11.78 1 4 0 62 336.482 2
Mid Mid (pH 6-8) 4.20 7.65 -51.84 0 4 -1 61 335.474 3

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

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