UCSF

ZINC19527156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 28 Yes

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(2-pyridylmethyl)methan 1-[(2S)-1-ethylpyrrolidin-2-yl]-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.64 7.14 -37.15 1 6 1 48 384.5 8 ↓
Hi High (pH 8-9.5) 2.64 5.26 -7.75 0 6 0 47 383.492 8 ↓
Mid Mid (pH 6-8) 2.64 8.65 -33.19 1 6 1 48 384.5 8 ↓
Mid Mid (pH 6-8) 2.64 9.04 -93.12 2 6 2 50 385.508 8 ↓

Activity (Go SEA)

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

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