UCSF

ZINC62820949

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 13 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) 0.55 5.79 -93.72 4 4 2 50 182.271 3
Hi High (pH 8-9.5) 0.55 4.36 -24.36 3 4 1 45 181.263 3
Mid Mid (pH 6-8) 0.55 5.31 -42.19 3 4 1 49 181.263 3

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

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