UCSF

ZINC62460155

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-[cyclopropylmethyl(propyl)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) 0.29 9.26 -77.75 3 4 1 61 255.382 10 ↓
Hi High (pH 8-9.5) 0.29 6.87 -32.38 2 4 0 60 254.374 10 ↓
Mid Mid (pH 6-8) 0.29 8.28 -55.65 2 4 0 57 254.374 10 ↓

Activity (Go SEA)

Rings

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

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