UCSF

ZINC01695476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 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) 3.27 -1.01 -5.08 1 2 0 29 194.274 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3948904; US3994875; US4026887; US4031083; US4045438; US4093802; US4093804; US4118562; US4122260; US4148998; US4180660; US4219648; US4610804 IBM Patent Data

Activity (Go SEA)

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