UCSF

ZINC34591803

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) 3.40 9.44 -53.13 0 2 -1 40 233.331 1
Lo Low (pH 4.5-6) 3.40 7.44 -4.78 1 2 0 37 234.339 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CYP28_STRAW; PENH_STREX; PNTH_STRAE; PTLH_STRAW ChEBI

Activity (Go SEA)

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