UCSF

ZINC04700421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 15 Yes

Other Names:

MFCD03613454

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) 1.11 5.5 -53.48 0 4 -1 60 212.269 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0081817A1; US4495355 IBM Patent Data

Activity (Go SEA)

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