UCSF

ZINC22781638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 Yes

Popular Name: 6-(4-chlorophenyl)-2-[[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-1-yl]methyl]-3H-thieno[2,3-e]p 6-(4-chlorophenyl)-2-[[4-[[(2S)-…

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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) 3.52 8.44 -71.31 2 6 1 63 445.996 5 ↓
Hi High (pH 8-9.5) 3.52 7.05 -13.32 1 6 0 61 444.988 5 ↓
Mid Mid (pH 6-8) 3.97 8.23 -43 1 6 0 66 444.988 5 ↓
Mid Mid (pH 6-8) 3.52 9.25 -46.25 2 6 1 63 445.996 5 ↓
Mid Mid (pH 6-8) 3.52 9.2 -51.77 2 6 1 63 445.996 5 ↓

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

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