UCSF

ZINC20542966

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 29 Yes

Popular Name: (2R)-1-(cyclohexyl-methyl-amino)-3-[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenoxy]propan-2-ol (2R)-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) 2.57 8.2 -87.98 3 6 2 51 407.599 9 ↓
Mid Mid (pH 6-8) 2.57 8.13 -89.66 3 6 2 51 407.599 9 ↓
Mid Mid (pH 6-8) 2.57 5.73 -44.69 2 6 1 50 406.591 9 ↓

Activity (Go SEA)

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