UCSF

ZINC62525800

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 18 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-[cyclopropylmethyl(isopropyl)amino]butanoic (2S)-2-(cyclopropylamino)-4-[cyc…

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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) 0.08 8.69 -76.94 3 4 1 61 255.382 9 ↓
Hi High (pH 8-9.5) 0.08 6.87 -33.43 2 4 0 60 254.374 9 ↓
Mid Mid (pH 6-8) 0.08 7.79 -46.47 2 4 0 57 254.374 9 ↓

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

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