UCSF

ZINC34463610

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) -0.10 -0.71 -12.26 2 5 0 70 201.222 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0330108A1; EP0330108B1; EP0343499A1; EP0343499B1; US4923857; US4963544; US5081237; WO2000012508A2 IBM Patent Data

Activity (Go SEA)

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