UCSF

ZINC58538486

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 37 Yes

Popular Name: 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methyl-4-piperidyl)-7-[3-[methyl(propyl)amino]propoxy] 6-methoxy-2-(4-methyl-1,4-diazep…

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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) 3.86 17.69 -231.98 5 9 4 74 517.763 11 ↓
Hi High (pH 8-9.5) 3.86 15.71 -140.48 4 9 3 73 516.755 11 ↓
Hi High (pH 8-9.5) 3.86 17.4 -142.27 4 9 3 73 516.755 11 ↓
Hi High (pH 8-9.5) 3.86 15.43 -85.59 3 9 2 72 515.747 11 ↓

Activity (Go SEA)

Rings

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

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