UCSF

ZINC39318602

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) 2.27 3.86 -4.34 1 2 0 37 178.231 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0011417A1; EP0048501A1; EP0050351A1; US4337346; US4383122; US4584387 IBM Patent Data

Activity (Go SEA)

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