UCSF

ZINC36125191

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 No

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

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) 1.18 6.48 -52 1 6 1 48 393.474 6 ↓
Mid Mid (pH 6-8) 1.18 8.6 -108.54 2 6 2 49 394.482 6 ↓
Mid Mid (pH 6-8) 1.18 6.14 -47.81 1 6 1 48 393.474 6 ↓

Activity (Go SEA)

Rings

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

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