UCSF

ZINC38452053

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 31 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) 3.93 7.17 -41.24 4 5 1 66 448.027 11
Lo Low (pH 4.5-6) 3.93 8.25 -116 5 5 2 71 449.035 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0436334A2; EP0436334B1; EP0610021A1; EP0627221A3; EP0653208A2; EP0653208A3; EP0655246A1; EP0659409A3; EP0715855A2; EP0721778A2; EP0769300A2; EP0773026A2; EP0854720A1; EP0854720B1; US5232929; US5332817; US5340826; US5393762; US5519033; US5576317; US57505 IBM Patent Data

Activity (Go SEA)

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