UCSF

ZINC38235010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 1.47 4.58 -7.99 1 3 0 47 194.23 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0542300B1; EP0582382A3; EP0751113A1; US4116957; US5354913; US5393664; US5420363 IBM Patent Data

Activity (Go SEA)

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