UCSF

ZINC02015642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 22 Yes

CAS Number: 22232-73-1

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) 3.79 1.16 -41.51 2 3 1 36 295.406 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0174342A1; EP0327766A2; EP0335545A2; EP0335545B2; EP0539493A1; EP0539493B1; US4444778; US4771059; US4824850; US4829070; US4880921; US4900837; US4933438; US4983586; US5002935; US5008257; US5017566; US5082853; US5177064; US5187158; US5296483; US5389623; U IBM Patent Data

Activity (Go SEA)

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