UCSF

ZINC36126362

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 No

Popular Name: 1-[(2S)-2-[(3R,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2, 1-[(2S)-2-[(3R,5R)-4-(2-dimethyl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.91 6.15 -52.42 1 6 1 48 379.447 5 ↓
Hi High (pH 8-9.5) 0.91 3.69 -13.7 0 6 0 47 378.439 5 ↓

Activity (Go SEA)

Rings

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

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