UCSF

ZINC22066351

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 5.80 11.59 -54.01 0 2 -1 40 299.434 5
Lo Low (pH 4.5-6) 5.80 10.51 -6.62 1 2 0 37 300.442 5

Vendor Notes

Note Type Comments Provided By
Patent Database Links US2005085539; US2008188559; US2008194534 ChEBI

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