UCSF

ZINC65526194

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine N-[(3-ethoxy-4-methoxy-phenyl)me…

Find On: PubMed — Wikipedia — Google

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) 2.14 9.73 -99.68 3 6 2 62 358.486 6 ↓
Hi High (pH 8-9.5) 2.14 7.19 -9.22 1 6 0 60 356.47 6 ↓
Mid Mid (pH 6-8) 2.14 9.32 -46.58 2 6 1 61 357.478 6 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.