UCSF

ZINC27204993

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) -1.21 -3.92 -14.33 3 7 0 105 254.242 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0049110A1; EP0104066A2; EP0923596A2; US4383990; US4424211; US4564618; US4658044; US5428149; US5591843; US5633360; US5763208; WO1998004575A2 IBM Patent Data

Activity (Go SEA)

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