UCSF

ZINC62460148

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-[cyclopropylmethyl(propyl)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) 0.29 9.2 -74.66 3 4 1 61 255.382 10 ↓
Hi High (pH 8-9.5) 0.29 7.11 -30.94 2 4 0 60 254.374 10 ↓
Mid Mid (pH 6-8) 0.29 8.34 -48.42 2 4 0 57 254.374 10 ↓

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

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