UCSF

ZINC69704736

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 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) 3.33 4.64 -12.05 1 5 0 75 309.416 2
Mid Mid (pH 6-8) 2.40 4.1 -48.75 0 5 -1 74 308.408 3
Lo Low (pH 4.5-6) 3.33 5.1 -38.8 2 5 1 76 310.424 2

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

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