UCSF

ZINC04428388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 27 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) 2.09 -3.14 -13.65 3 5 0 94 376.493 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0003519A1; EP0186948A1; EP0763054A1; EP0763054B1; US3947409; US4207316; US4224320; US4353985; US4613463; US5750745 IBM Patent Data

Activity (Go SEA)

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