UCSF

ZINC38604606

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 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) 4.12 9.8 -11.32 0 3 0 30 311.356 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0329691A1; EP0329691B1; US4737511 IBM Patent Data

Activity (Go SEA)

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