UCSF

ZINC62462146

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]butanamide (2S)-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) 0.39 2.01 -39.29 4 5 1 69 256.37 10 ↓
Hi High (pH 8-9.5) 0.39 0.02 -6.24 3 5 0 68 255.362 10 ↓
Lo Low (pH 4.5-6) 0.39 2.93 -107.66 5 5 2 73 257.378 10 ↓

Activity (Go SEA)

Rings

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

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