UCSF

ZINC39297729

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 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) 4.07 3.14 -6.4 2 5 0 73 426.547 5
Mid Mid (pH 6-8) 4.07 3.46 -51.62 3 5 1 74 427.555 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3954732; 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% )