UCSF

ZINC21540924

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 28 Yes

Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)me N-[[(2S)-1-ethylpyrrolidin-2-yl]…

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) 2.35 8.82 -50.05 2 6 1 55 382.532 6 ↓
Hi High (pH 8-9.5) 2.35 6.46 -15.81 1 6 0 53 381.524 6 ↓
Mid Mid (pH 6-8) 2.35 8.94 -80.42 3 6 2 56 383.54 6 ↓

Activity (Go SEA)

Rings

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

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