UCSF

ZINC06437471

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 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) 2.31 -2.19 -35.72 3 2 1 36 206.309 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5043341; US5141944 IBM Patent Data

Activity (Go SEA)

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