UCSF

ZINC71405171

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 23 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) 4.29 11.42 -58.63 1 4 -1 69 422.242 6
Lo Low (pH 4.5-6) 4.29 9.75 -10.41 2 4 0 66 423.25 6

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

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