UCSF

ZINC69497753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 17 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) 0.85 3.34 -27.6 2 5 1 57 232.311 5
Mid Mid (pH 6-8) 0.85 2.76 -9.32 1 5 0 56 231.303 5
Lo Low (pH 4.5-6) 0.85 4.77 -104.8 3 5 2 61 233.319 5

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

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