UCSF

ZINC39334840

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 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) 1.12 3.29 -10.89 1 3 0 32 202.257 0
Mid Mid (pH 6-8) 1.12 4.54 -53.6 2 3 1 37 203.265 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4273773 IBM Patent Data

Activity (Go SEA)

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