UCSF

ZINC69991653

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

Popular Name: (2S)-2-methyl-3-[4-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]piperazin-1-yl]propan-1-amine (2S)-2-methyl-3-[4-[[1-[(1R)-1-m…

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) 1.11 5.23 -103.39 4 5 2 53 295.475 7 ↓
Hi High (pH 8-9.5) 1.11 2.96 -6.01 2 5 0 50 293.459 7 ↓
Mid Mid (pH 6-8) 1.11 3.41 -45.13 3 5 1 52 294.467 7 ↓
Mid Mid (pH 6-8) 1.11 5.69 -86.64 4 5 2 53 295.475 7 ↓

Activity (Go SEA)

Rings

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

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