UCSF

ZINC12503778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 19 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) -2.06 -2.5 -21.8 5 9 0 139 267.245 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0045944A1; EP0090417A2; EP0216510A2; EP0216510B1; EP0216511A2; EP0216511B1; EP0238672A1; EP0275065A2; EP0275065B1; EP0433898A2; EP0433898A3; EP0493378A1; EP0746336A1; EP0841396A1; EP0932686A2; EP0954585A2; US4434788; US4594320; US4594321; US4767713; US4 IBM Patent Data

Activity (Go SEA)

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