UCSF

ZINC39263046

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 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) 3.49 5.02 -4.36 0 2 0 18 180.247 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0175290A2; EP0350950A1; EP0587088A1; EP0587088B1; EP0620225A1; EP0671392A1; EP0672660A3; EP0759917A1; EP0759917B1; EP0789695A2; EP0807118A2; EP0821690A1; EP0912574A1; EP0976734A3; US4719289; US5200526; US5463062; US5464617; US5494666; US5523400; US55677 IBM Patent Data

Activity (Go SEA)

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