UCSF

ZINC41585864

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2E)-6-hydroxy-4-methyl-2-[(1-methylindol-3-yl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]ben (2E)-6-hydroxy-4-methyl-2-[(1-me…

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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) 4.21 11.28 -35.84 2 7 1 76 481.576 4 ↓
Hi High (pH 8-9.5) 4.21 11.69 -47.58 0 7 -1 78 479.56 4 ↓
Mid Mid (pH 6-8) 4.21 12.03 -53.92 1 7 0 79 480.568 4 ↓
Mid Mid (pH 6-8) 4.21 10.93 -12.17 1 7 0 75 480.568 4 ↓
Mid Mid (pH 6-8) 4.21 13.15 -46.95 2 7 1 76 481.576 4 ↓
Lo Low (pH 4.5-6) 4.21 13.48 -103.11 3 7 2 77 482.584 4 ↓

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

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