UCSF

ZINC12408754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 11 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) 2.27 3.48 -8.53 0 3 0 42 206.317 1
Lo Low (pH 4.5-6) 2.27 4.3 -26.2 1 3 1 44 207.325 1
Lo Low (pH 4.5-6) 2.27 3.91 -29.88 1 3 1 44 207.325 1

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

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