UCSF

ZINC37323654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 2.63 5.89 -40.03 2 4 1 44 274.388 3
Mid Mid (pH 6-8) 2.63 4.53 -9.16 1 4 0 39 273.38 3
Lo Low (pH 4.5-6) 2.63 6.42 -98.09 3 4 2 45 275.396 3

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

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