UCSF

ZINC01670474

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 3.96 2.32 -5.64 0 2 0 26 204.269 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999031066A1; WO2000062770A1 IBM Patent Data

Activity (Go SEA)

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