UCSF

ZINC01590023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 Yes

CAS Numbers: 497-37-0 , 61277-90-5

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 1.9 -2.25 1 1 0 20 112.172 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5459067 IBM Patent Data

Activity (Go SEA)

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