UCSF

ZINC27435623

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 20 No

CAS Number: 35109-88-7

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) 0.55 -5.4 -19.33 5 9 0 140 393.141 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0219876A2; EP0219876B1; EP0429681A1; EP0429681B1; EP0444196A1; EP0444196B1; EP0488336A1; EP0488336B1; EP0601322A2; EP0601322A3; EP0637315A1; EP0637315B1; EP0967220A1; US4956345; US5013829; US5189027; US5270304; US5283327; US5459254; US5593975; US5705491 IBM Patent Data

Activity (Go SEA)

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