UCSF

ZINC41585038

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 39 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(1-methylindol-3-yl)methy (2Z)-7-[[4-(1,3-benzodioxol-5-yl…

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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) 4.33 11.25 -58.62 2 8 1 82 524.597 5 ↓
Hi High (pH 8-9.5) 4.33 9.56 -48.42 0 8 -1 83 522.581 5 ↓
Mid Mid (pH 6-8) 4.33 11.29 -57.81 2 8 1 82 524.597 5 ↓
Mid Mid (pH 6-8) 4.33 11.86 -41.85 1 8 0 84 523.589 5 ↓
Mid Mid (pH 6-8) 4.33 9 -15.18 1 8 0 80 523.589 5 ↓

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

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