UCSF

ZINC61376743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Popular Name: N'-[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-N-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine N'-[(4S)-1,1-dioxo-3,4-dihydro-2…

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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) 0.18 3.29 -52.81 2 5 1 60 313.443 7 ↓
Hi High (pH 8-9.5) 0.18 0.85 -13.17 1 5 0 59 312.435 7 ↓
Mid Mid (pH 6-8) 0.18 1.68 -61.33 2 5 1 63 313.443 7 ↓
Lo Low (pH 4.5-6) 0.18 4.1 -148.4 3 5 2 64 314.451 7 ↓

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Rings

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

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