UCSF

ZINC39372639

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 25 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) 0.19 4.37 -23.91 2 9 0 139 350.327 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0037081A1; US4273709; US4290947; US4309346; US4356120; US4378315; US4383946; US4400323; US4610820; US4736025; US4739048 IBM Patent Data

Activity (Go SEA)

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