UCSF

ZINC52882235

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 Yes

Popular Name: (2R)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenyl-propan-1-one (2R)-2-amino-1-[4-(cyclopropylme…

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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) 1.86 6.89 -40.59 3 4 1 51 288.415 4 ↓
Mid Mid (pH 6-8) 1.86 4.67 -5.74 2 4 0 50 287.407 4 ↓
Lo Low (pH 4.5-6) 1.86 7.09 -105.73 4 4 2 52 289.423 4 ↓

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

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