UCSF

ZINC04403575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 27 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) 6.73 2.46 -5.16 0 1 0 9 350.461 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0880500A1; US4008231; US4062878; US4064181; US4075203; US4081440; US4124648; US4165315; US4165316 IBM Patent Data

Activity (Go SEA)

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