UCSF

ZINC57731360

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 32 Yes

Popular Name: 7-[[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]methyl]-2-[(3S)-3-methyl-1-piperid 7-[[2,5-dimethyl-1-[[(2S)-tetrah…

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) 2.92 11.97 -12.71 1 7 0 66 439.604 5 ↓
Mid Mid (pH 6-8) 2.92 13.74 -54.04 2 7 1 68 440.612 5 ↓
Mid Mid (pH 6-8) 3.38 12.48 -52.96 1 7 0 71 439.604 5 ↓

Activity (Go SEA)

Rings

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

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