UCSF

ZINC05819845

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 21 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) 6.09 3.9 -5.64 0 2 0 26 288.431 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0012820A1; EP0014840A1; EP0030277A1; EP0117476A1; EP0136501A2; EP0149208A2; EP0152808A2; US4237026; US4302352; US4331552; US4410445; US4659502; US4678283; US4719032; US4730904; US4752414; US4818428; US4818431; US4853149; US4882082; US5030383; US5043093 IBM Patent Data

Activity (Go SEA)

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