UCSF

ZINC03813601

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 30 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) 5.41 3.39 -43.6 2 4 1 52 410.578 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0743936A1; EP0743936B1; US5821251 IBM Patent Data

Activity (Go SEA)

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