UCSF

ZINC04977726

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 16 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) 1.23 4.17 -53.71 1 4 -1 77 225.264 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3932479; US3932487; US3950406; US3966773; US4007210; US4060540; US4060691; US4061672; US4076947; US4080458; US4085272; US4110368; US4123456; US4152524; US4154954; US4154959; US4165331; US4178456; US4179574; US4189597; US4197407; US4202988; US4210651; US IBM Patent Data

Activity (Go SEA)

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