UCSF

ZINC41585005

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-[(3-methyl-2-thie (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) 4.76 9.53 -47.8 2 7 1 77 505.616 5 ↓
Hi High (pH 8-9.5) 4.76 8.05 -46.83 0 7 -1 78 503.6 5 ↓
Mid Mid (pH 6-8) 4.76 9.53 -50.42 2 7 1 77 505.616 5 ↓
Mid Mid (pH 6-8) 4.76 10.3 -31.56 1 7 0 79 504.608 5 ↓
Mid Mid (pH 6-8) 4.76 7.29 -11.1 1 7 0 75 504.608 5 ↓

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

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