UCSF

ZINC00000376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 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) -1.84 -2.46 -45.01 2 7 -1 119 226.164 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% )