UCSF

ZINC65528801

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 19 Yes

Popular Name: (3S)-1-[(4aR)-4aH-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(4aR)-4aH-pyrrolo[2,3-d]…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.68 8.31 -41.45 2 5 1 49 260.365 4 ↓
Mid Mid (pH 6-8) 1.21 8.46 -110.29 2 5 2 46 261.373 4 ↓
Mid Mid (pH 6-8) 1.68 6.27 -9.2 1 5 0 48 259.357 4 ↓

Activity (Go SEA)

Rings

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

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