UCSF

ZINC13509188

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 5.32 7.32 -4.88 3 3 0 61 416.646 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0651994A1; EP0719782A1; US4364941; US5795909; US6136332; WO1997044063A2; WO1999030690A1; WO2000061541A2; WO2000061549A2; WO2000061604A2 IBM Patent Data

Activity (Go SEA)

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