UCSF

ZINC70675361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 16 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) 2.15 3.4 -11.16 1 4 0 51 211.224 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0180992A2; EP0180993A2; EP0180993B1; EP0366572B1; EP0433024B1; EP0490815A1; EP0490815B1; EP0524419B1; EP0534257B1; EP0567314A1; EP0688759A1; EP0688759B1; EP0722938A2; EP0722938A3; EP0722938B1; EP0786675A2; EP0855393A1; US3954706; US4681905; US4871793; U IBM Patent Data

Activity (Go SEA)

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