UCSF

ZINC39267655

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 32 Yes

Popular Name: (2S)-1-[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-N-[2-(4-pyridyl)ethyl]pyrrolidine-2-carboxamide (2S)-1-[2-amino-6-(3-methoxyanil…

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) 2.42 9.01 -20.9 4 9 0 118 433.516 8 ↓
Mid Mid (pH 6-8) 2.42 9.66 -35.32 5 9 1 120 434.524 8 ↓
Mid Mid (pH 6-8) 2.42 8.65 -34.24 5 9 1 120 434.524 8 ↓
Lo Low (pH 4.5-6) 2.42 10.12 -76.26 6 9 2 121 435.532 8 ↓
Lo Low (pH 4.5-6) 2.42 9.11 -75.5 6 9 2 121 435.532 8 ↓

Activity (Go SEA)

Rings

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