UCSF

ZINC04228287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 20 No

CAS Number: 10247-98-0

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) 4.39 10.3 -5.48 0 1 0 17 272.432 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0122232A1; EP0143764A1; EP0161492A2; EP0289327A2; EP0523688A1; EP0562843A3; EP0562843B1; EP0633893B1; EP0641211A1; EP0715517A1; EP0783513A1; EP0891188A1; EP0924219A2; EP0944644A2; US2806041; US3102127; US3356676; US3953483; US3956316; US3984474; US40875 IBM Patent Data
PUBCHEM_PATENT_ID US5387583; WO1986004236A1; WO1986004238A1; WO1997030069A1 IBM Patent Data

Activity (Go SEA)

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