UCSF

ZINC23359848

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 30 Yes

Popular Name: (2S,4S)-1-[(3-chlorophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methylamino]-N-methyl-pyrrolidine-2 (2S,4S)-1-[(3-chlorophenyl)methy…

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) 2.81 7.19 -60.78 3 6 1 67 432.972 9 ↓
Hi High (pH 8-9.5) 2.81 6.1 -14.83 2 6 0 63 431.964 9 ↓
Lo Low (pH 4.5-6) 2.81 9.29 -141.03 4 6 2 69 433.98 9 ↓

Activity (Go SEA)

Rings

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

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