UCSF

ZINC01701705

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 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) 3.39 -0.79 -1.7 1 1 0 20 156.269 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0042270A2; EP0289592A1; EP0289592B1; EP0309481B1; EP0318511A1; EP0318511B1; EP0351428A1; EP0351428B1; EP0391993B1; EP0448129A2; EP0448129A3; EP0537387B1; EP0578490B1; EP0586258A2; EP0586258A3; EP0725129A2; EP0725129A3; EP0733696A1; EP0733697A1; EP073369 IBM Patent Data

Activity (Go SEA)

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