UCSF

ZINC52429313

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 24 No

Popular Name: Bactobolin monohydrochloride hydrate; LS-119008; Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, monohydrochloride, hydrate Bactobolin monohydrochloride hyd…

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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) -1.29 -0.95 -92.58 6 8 0 141 384.236 3 ↓
Mid Mid (pH 6-8) -1.29 -1.27 -13.86 5 8 0 139 383.228 3 ↓

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

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