UCSF

ZINC36099490

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 35 Yes

Popular Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenol 4-[[4-[4-methyl-3-(4-methylpiper…

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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) 4.62 5.94 -23.01 2 8 0 99 489.601 5 ↓
Mid Mid (pH 6-8) 4.62 6.1 -35.22 3 8 1 100 490.609 5 ↓
Mid Mid (pH 6-8) 4.62 8.44 -89.08 4 8 2 101 491.617 5 ↓

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Rings

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