UCSF

ZINC00396110

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

CAS Number: 722-01-0

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 9.47 -8.1 0 2 0 26 212.248 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4348410 IBM Patent Data

Activity (Go SEA)

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