UCSF

ZINC04655076

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 21 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) 3.08 -0.44 -7.9 1 2 0 37 284.399 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0207375A1; EP0287653B1; EP0365657B1; EP0462189A1; EP0462189B1; EP0496520A1; EP0577932A3; EP0591311A1; EP0591311B1; EP0733705A1; EP0801561A2; EP1021204A2; US4684636; US5053405; US5071773; US5100882; US5134135; US5183815; US5298429; US5312732; US5362720 IBM Patent Data

Activity (Go SEA)

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