UCSF

ZINC35893011

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 31 Yes

Popular Name: 4-[2-[4-(isopropylBLAHyl)piperazin-1-yl]ethyl]morpholine 4-[2-[4-(isopropylBLAHyl)piperaz…

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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) 4.12 10.78 -48.57 1 6 1 46 444.669 5 ↓
Mid Mid (pH 6-8) 4.12 8.56 -7.46 0 6 0 45 443.661 5 ↓
Lo Low (pH 4.5-6) 4.12 10.83 -43.59 1 6 1 46 444.669 5 ↓
Lo Low (pH 4.5-6) 4.12 13.05 -132.54 2 6 2 47 445.677 5 ↓

Activity (Go SEA)

Rings

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