UCSF

ZINC05734510

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 15 No

Popular Name: BRN 1348860; Carbazic acid, 3-(5-nitrofurfurylidene)dithio-, methyl ester; LS-51652; Methyl 3-(5-nitrofurfurylidene)dithiocarbazate; N-(5-Nitro-2-furfurylidene)dithiocarbazic acid methyl ester BRN 1348860; Carbazic acid, 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) 2.34 4.45 -21.78 1 6 0 83 245.285 5 ↓
Hi High (pH 8-9.5) 1.84 4.51 -19.83 1 6 0 85 245.285 4 ↓
Hi High (pH 8-9.5) 1.84 4.36 -41.4 0 6 -1 84 244.277 4 ↓

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