UCSF

ZINC67473366

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 17 No

Popular Name: N-[(1R)-1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1,4-dithiepan-6-amine N-[(1R)-1-methyl-2-(3-methyl-1H-…

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) 1.97 5.85 -36.41 3 3 1 45 272.463 4 ↓
Hi High (pH 8-9.5) 1.97 4.93 -6.15 2 3 0 41 271.455 4 ↓

Activity (Go SEA)

Rings

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

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