UCSF

ZINC11631190

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 17 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) 0.56 2.59 -50.03 1 5 -1 79 239.247 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999048911A1 IBM Patent Data

Activity (Go SEA)

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