UCSF

ZINC44123914

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 17 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) 2.71 2.64 -11.37 2 4 0 66 227.219 2
Hi High (pH 8-9.5) 2.71 3.44 -51.94 1 4 -1 69 226.211 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0153818A2; EP0156603A2; EP0164860A1; EP0175551A1; EP0244918A2; EP0276500A2; EP0276500B1; US4556672; US4569942; US4652658; US4658037; US4665194; US4690943; US4721712; US4752609; US4808601 IBM Patent Data

Activity (Go SEA)

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