UCSF

ZINC62462220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 18 Yes

Popular Name: (2R)-2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]butanoic (2R)-2-(cyclopropylamino)-4-[cyc…

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 6.76 -75.37 3 5 1 70 257.354 10 ↓
Mid Mid (pH 6-8) -1.11 5.85 -55.49 2 5 0 66 256.346 10 ↓
Mid Mid (pH 6-8) -1.11 4.69 -35.87 2 5 0 69 256.346 10 ↓

Activity (Go SEA)

Rings

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

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