UCSF

ZINC58342429

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 Yes

Popular Name: 1-(4-pyridylmethyl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amin 1-(4-pyridylmethyl)-N-[[(6S)-4,5…

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) 0.91 4.74 -56.54 3 6 1 63 327.456 5 ↓
Mid Mid (pH 6-8) 0.91 4.9 -101.94 4 6 2 64 328.464 5 ↓
Lo Low (pH 4.5-6) 0.91 7.16 -191.03 5 6 3 65 329.472 5 ↓

Activity (Go SEA)

Rings

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

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