UCSF

ZINC34985040

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 Yes

Popular Name: 1-ethyl-3-[[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl 1-ethyl-3-[[5-(4-methylpiperazin…

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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) 2.86 10.89 -82.73 4 9 2 83 492.672 7 ↓
Hi High (pH 8-9.5) 2.86 8.07 -14.65 2 9 0 81 490.656 7 ↓
Mid Mid (pH 6-8) 2.86 9.04 -80.01 4 9 2 84 492.672 7 ↓
Mid Mid (pH 6-8) 2.86 8.54 -30.29 3 9 1 82 491.664 7 ↓
Mid Mid (pH 6-8) 2.86 11.41 -146.46 5 9 3 85 493.68 7 ↓

Activity (Go SEA)

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