UCSF

ZINC02512145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 No

Other Names:

MFCD03839450

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) 1.11 -0.94 -12.93 1 5 0 56 257.293 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0647449A1; EP0714909A1; EP0815870A3 IBM Patent Data

Activity (Go SEA)

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