UCSF

ZINC36456297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 15 No

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) 2.90 7.25 -6.09 0 2 0 34 200.237 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0282006A1; EP0282056A2; US4460674; US4758587; US4786652; US5089657; US5134161; US5155132; US5728898; WO1997049660A1 IBM Patent Data

Activity (Go SEA)

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