UCSF

ZINC58344083

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 26 Yes

Popular Name: 6-[(1S)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-N4-phenyl-1,3,5-triazine-2,4-diamine 6-[(1S)-1-[4-(2-methoxyethyl)pip…

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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) 1.76 8.49 -36.55 4 8 1 94 358.47 7 ↓
Mid Mid (pH 6-8) 1.76 8.36 -33.5 4 8 1 94 358.47 7 ↓
Mid Mid (pH 6-8) 1.76 6.16 -8.36 3 8 0 92 357.462 7 ↓
Lo Low (pH 4.5-6) 1.76 9.51 -80.58 5 8 2 95 359.478 7 ↓

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Rings

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

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