UCSF

ZINC06583578

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 20 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) 2.58 9.37 -54.99 0 4 -1 62 284.316 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5620997; US5668162; US6001863; US6133270 IBM Patent Data

Activity (Go SEA)

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