UCSF

ZINC04097493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 11 Yes

CAS Number: 488-73-3

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) -2.13 -11.4 -9.04 5 5 0 101 164.157 0

Vendor Notes

Note Type Comments Provided By
MP 237 TCI
PUBCHEM_PATENT_ID EP0524082B1; EP0859589A1; EP0868756A1; EP0880058A1; EP0932084A1; EP0947888A1; EP0949322A2; EP0952495A1; EP0980028A1; EP0987123A2; EP1041447A1; EP1041448A1; US3965003; US4418058; US4824919; US6015778; US6017386; US6071681; US6132919; WO1996035239A1; WO1998 IBM Patent Data

Activity (Go SEA)

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