UCSF

ZINC22008212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) 4.28 6.7 -2.95 1 1 0 20 204.313 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0334911A1; EP0334911B1; EP0358741A1; EP0358741B1; US5230827; US5324449; US5536442; US5693379; US5716543; US5830976 IBM Patent Data

Activity (Go SEA)

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