UCSF

ZINC01537974

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 34 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) 3.40 0.16 -125.16 1 10 -2 140 460.494 9
Mid Mid (pH 6-8) 3.40 0.31 -99.94 2 10 -1 141 461.502 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5616599; US5646171 IBM Patent Data

Activity (Go SEA)

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