UCSF

ZINC37183421

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 Yes

Popular Name: (2R)-2-(cyclopropylamino)-2-(2-pyridyl)propanoic (2R)-2-(cyclopropylamino)-2-(2-p…

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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) 0.57 4.04 -48.04 1 4 -1 65 205.237 4 ↓
Mid Mid (pH 6-8) 0.57 4.76 -38.08 2 4 0 66 206.245 4 ↓
Mid Mid (pH 6-8) 0.57 5.11 -26.55 2 4 0 70 206.245 4 ↓
Lo Low (pH 4.5-6) 0.57 5.68 -57.12 3 4 1 71 207.253 4 ↓

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

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