UCSF

ZINC20020299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 14 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) 3.69 6.63 -48.05 0 2 -1 40 197.298 3
Lo Low (pH 4.5-6) 3.69 5.5 -5.59 1 2 0 37 198.306 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0147191A2; EP0262388B1; EP0302993B1; US4663068 IBM Patent Data

Activity (Go SEA)

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