UCSF

ZINC62526698

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 19 Yes

Popular Name: (2R)-4-[cyclohexylmethyl(methyl)amino]-2-(cyclopropylamino)butanoic (2R)-4-[cyclohexylmethyl(methyl)…

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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) 0.83 9.57 -79.64 3 4 1 61 269.409 8 ↓
Hi High (pH 8-9.5) 0.83 7.61 -32.35 2 4 0 60 268.401 8 ↓
Mid Mid (pH 6-8) 0.83 8.6 -58.66 2 4 0 57 268.401 8 ↓

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

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