UCSF

ZINC39235947

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 19 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) 3.55 6.83 -8.24 0 3 0 28 258.317 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1004621A1; WO1999043212A2; WO1999052846A2 IBM Patent Data

Activity (Go SEA)

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