UCSF

ZINC38811391

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 18 No

Popular Name: Carbazic acid, 3-(2-methyl-3-(5-nitro-2-furyl)allylidene)dithio-, methyl ester; LS-51647; Methyl 3-(2-methyl-3-(5-nitro-2-furyl)allylidene)dithiocarbazate; N-(alpha-Methyl-(5-nitrofuryl-2)acrylidene)dithiocarbazic acid methyl ester Carbazic acid, 3-(2-methyl-3-(5-…

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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) 2.93 6.63 -22.4 1 6 0 83 285.35 6 ↓
Hi High (pH 8-9.5) 2.97 6.55 -42.76 0 6 -1 84 284.342 5 ↓
Hi High (pH 8-9.5) 2.97 6.71 -21.05 1 6 0 85 285.35 5 ↓

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