UCSF

ZINC33817731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 18 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) -0.62 -3.77 -14.56 4 7 0 111 371.106 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010205A1; EP0338042A1; EP0338042B1; EP0350287A2; EP0350287B1; EP1060182A2; US4211773; US4594339; US5430026; US5550047; US5580571; US5756116; US5780054; US5879661; US5879700; US5959100; US6015573; US6143882; WO1996040088A1; WO1997007829A1; WO1999045016A IBM Patent Data

Activity (Go SEA)

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