UCSF

ZINC58309708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 20 Yes

Popular Name: (1S)-1-(2,5-dimethyl-3-furyl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethana (1S)-1-(2,5-dimethyl-3-furyl)-N-…

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) 1.73 6.07 -53.06 3 5 1 60 275.376 4 ↓
Hi High (pH 8-9.5) 1.73 5.03 -8.26 2 5 0 55 274.368 4 ↓
Mid Mid (pH 6-8) 1.73 6.23 -98.83 4 5 2 61 276.384 4 ↓

Activity (Go SEA)

Rings

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

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