UCSF

ZINC02244271

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 14 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) 4.09 1.3 -3.45 1 1 0 12 187.217 2

Vendor Notes

Note Type Comments Provided By
BP 166 / 17 TCI
MP 38 TCI
PUBCHEM_PATENT_ID US5674998; US5763596 IBM Patent Data

Activity (Go SEA)

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