UCSF

ZINC23359728

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 31 Yes

Popular Name: (2S)-1-(cyclohexyl-methyl-amino)-3-[4-[(4-isopropylpiperazin-1-yl)methyl]-2-methoxy-phenoxy]propan-2 (2S)-1-(cyclohexyl-methyl-amino)…

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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) 3.24 9.61 -81.53 3 6 2 51 435.653 10 ↓
Hi High (pH 8-9.5) 3.24 7.18 -40.28 2 6 1 50 434.645 10 ↓
Mid Mid (pH 6-8) 3.24 9.43 -86.84 3 6 2 51 435.653 10 ↓

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