UCSF

ZINC67725273

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 30 Yes

Popular Name: (3S)-N-(3-amino-3-oxo-propyl)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperi (3S)-N-(3-amino-3-oxo-propyl)-N-…

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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) 2.36 8.57 -17.57 2 7 0 92 407.518 6 ↓
Mid Mid (pH 6-8) 2.36 8.9 -36.06 3 7 1 94 408.526 6 ↓

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