UCSF

ZINC25262039

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 30 Yes

Popular Name: (2S)-N-[(3-chloro-5-ethoxy-4-methoxy-phenyl)methyl]-2-(4-methoxyphenyl)-2-morpholino-ethanamine (2S)-N-[(3-chloro-5-ethoxy-4-met…

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) 3.84 7.67 -55.31 2 6 1 57 435.972 10 ↓
Mid Mid (pH 6-8) 3.84 7.39 -9.23 1 6 0 52 434.964 10 ↓
Lo Low (pH 4.5-6) 3.84 9.6 -140.81 3 6 2 58 436.98 10 ↓

Activity (Go SEA)

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