UCSF

ZINC04099127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 22 No

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) -4.48 -8.54 -350.63 4 13 -4 235 366.108 6
Mid Mid (pH 6-8) -4.48 -9.69 -221.82 5 13 -3 232 367.116 6
Lo Low (pH 4.5-6) -4.48 -10.84 -112.72 6 13 -2 229 368.124 6

Vendor Notes

Note Type Comments Provided By
UniProt Database Links GMHB_CHLTE; GMHB_THEAC; GMHB_THEEB; GMHB_THEVO ChEBI

Activity (Go SEA)

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