UCSF

ZINC33843066

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 13 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) 2.51 5.58 -8.11 1 2 0 29 175.231 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0669912A1; EP0869944A1; WO1995008536A1; WO1996029309A1 IBM Patent Data

Activity (Go SEA)

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