UCSF

ZINC39333063

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 No

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) 5.97 8.23 -13.64 1 6 0 76 500.231 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0273599A1; EP0273599B1; US3954732; US3989685; US3993646; US4009159; US4036847; US4056521; US4071527; US4084049; US4164497; US4203897; US4218374; US4267340; US4410458; US4435321; US4931555 IBM Patent Data

Activity (Go SEA)

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