UCSF

ZINC39319942

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 No

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) 0.40 1.58 -17.59 2 4 0 58 178.191 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0423796B1; EP0518238A1; EP0903350A1; US4022833; US4085144; US4119668; US4140860; US4975409; US5128312; US5210200; US5227359; US5238903; US5262377; US5344933; US5362882; US5403811; US5508421 IBM Patent Data

Activity (Go SEA)

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