UCSF

ZINC01846186

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 25 Yes

CAS Number: 81840-58-6

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) 3.78 -1.81 -46.02 3 4 1 63 346.491 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4322437 IBM Patent Data

Activity (Go SEA)

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