UCSF

ZINC23361617

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S,4R)-4-[(3-chlorophenyl)methylamino]-N-(2-methoxyethyl)-1-(1-propyl-4-piperidyl)pyrrolidine-2-car (2S,4R)-4-[(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) 2.67 7.89 -102.43 4 6 2 63 439.044 10 ↓
Hi High (pH 8-9.5) 2.67 6.76 -39.26 3 6 1 58 438.036 10 ↓
Lo Low (pH 4.5-6) 2.68 8.64 -104.45 4 6 2 59 439.044 10 ↓

Activity (Go SEA)

Rings

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