UCSF

ZINC40174850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 19 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) 4.26 9.12 -7.77 0 3 0 36 256.301 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0664282A1; EP0664282B1 IBM Patent Data

Activity (Go SEA)

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