UCSF

ZINC62948578

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 1.42 2.62 -37.54 2 3 1 29 213.345 1
Hi High (pH 8-9.5) 1.42 1.36 -1.97 1 3 0 24 212.337 1
Lo Low (pH 4.5-6) 1.42 3.79 -32.39 2 3 1 26 213.345 1
Lo Low (pH 4.5-6) 1.42 5.05 -109.22 3 3 2 30 214.353 1

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

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