UCSF

ZINC32267251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 21 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) 7.10 12.06 -3.36 0 1 0 9 282.427 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0252739A2; EP0252739B1; EP0291718A1; EP0309226A2; EP0309226B1; EP0583971A1; EP0635470A1; EP0798341A1; EP0799858A1; EP0950649A1; EP0972776A1; EP0976746A1; EP0976747A3; US3975345; US3981730; US4196277; US4255152; US4689390; US4774368; US4891453; US5800624 IBM Patent Data

Activity (Go SEA)

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