UCSF

ZINC04095966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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) 4.58 2.15 -3.99 0 1 0 17 274.448 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0077541A1; EP0375349A1; EP0375349B1; EP0375351A1; EP0633893B1; EP0786999A1; EP0792371A1; US3943124; US3953429; US4013688; US4071625; US4265823; US4297350; US4451460; US4456601; US4558690; US4668455; US5026882; US5155107; US5215894; US5236912; US5389624 IBM Patent Data

Activity (Go SEA)

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