UCSF

ZINC38600373

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 4.65 8.47 -55.7 1 3 -1 60 315.433 5
Lo Low (pH 4.5-6) 4.65 7.89 -7.08 2 3 0 58 316.441 5

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_13793 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Vitamins

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