UCSF

ZINC69944679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 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) 1.05 1.46 -42.75 3 3 1 40 213.345 1
Hi High (pH 8-9.5) 1.05 1.68 -1.48 2 3 0 38 212.337 1
Mid Mid (pH 6-8) 1.05 3.8 -115.62 4 3 2 41 214.353 1
Lo Low (pH 4.5-6) 1.05 3.66 -27.85 3 3 1 40 213.345 1

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

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