UCSF

ZINC39239950

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 21 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) 5.20 11.67 -5.78 0 1 0 9 272.347 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0013576A1; EP0019872A1; EP0020812A1; EP0028342A2; EP0041688A1; EP0045488A2; EP0064225A2; EP0321828B1; EP0352630A2; EP0352630B1; EP0354475A2; EP0354475B1; EP0355387A2; EP0355387B1; EP0359060A2; EP0359060B1; EP0361284A2; EP0361284B1; EP0361374A2; EP036137 IBM Patent Data

Activity (Go SEA)

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