UCSF

ZINC34028566

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 24 Yes

Popular Name: 2-cyclopropyl-1-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]ethan 2-cyclopropyl-1-[(3S,4S)-4-methy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.13 10.86 -15.85 1 6 0 65 327.432 4 ↓
Lo Low (pH 4.5-6) 2.13 11.33 -33.88 2 6 1 66 328.44 4 ↓

Activity (Go SEA)

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