UCSF

ZINC41585060

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 Yes

Popular Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-chloro-7-hydroxy-chromen-4-one 8-[[4-(1,3-benzodioxol-5-ylmethy…

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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) 3.30 6.23 -57.41 2 7 1 77 429.88 4 ↓
Hi High (pH 8-9.5) 3.30 4.56 -43 0 7 -1 78 427.864 4 ↓
Mid Mid (pH 6-8) 3.30 3.98 -13.48 1 7 0 75 428.872 4 ↓
Mid Mid (pH 6-8) 3.30 6.27 -56.41 2 7 1 77 429.88 4 ↓

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Rings

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

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