UCSF

ZINC00387121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one 3-methyl-4,5-dihydro-1H-benzo[d]…

Find On: PubMed — Wikipedia — Google

CAS Number: 73644-95-8

Other Names:

MFCD03867169

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) 1.46 5.69 -8.84 0 2 0 20 175.231 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998028268A2 IBM Patent Data

Activity (Go SEA)

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