UCSF

ZINC14684176

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 16 Yes

CAS Number: 7008-17-5

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) -1.83 0.15 -45.52 2 7 -1 120 226.164 5
Lo Low (pH 4.5-6) -1.83 0.43 -61.81 3 7 0 121 227.172 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5352388; WO1991016657A1 IBM Patent Data

Activity (Go SEA)

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