UCSF

ZINC82007765

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2012 6 No

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) 1.91 4.3 -1.17 0 0 0 0 102.202 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0398115A1; EP0398115B1; EP0414112A2; EP0414112B1; EP0637298A1; EP0637298B1; EP0835248A1; EP0971904A1; EP0998468A1; US3996366; US4081540; US5106408; US6140274; US6150303; WO1993022280A1; WO1997028112A1; WO1999005130A1; WO1999059983A1; WO2000023413A1; WO2 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.