UCSF

ZINC13815389

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 28 No

CAS Number: 98672-91-4

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) 3.49 7.15 -54.6 3 7 -1 103 386.472 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5066480 IBM Patent Data

Activity (Go SEA)

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