UCSF

ZINC95803470

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2014 62 No

Popular Name: BRN 1207061; C48H63N5O9; Deacetylvincaleukoblastine 4-ester with N,N-dimethylglycine; LS-162158; O(sup 4)-Deacetylvincaleukoblastine 4-ester with N,N-dimethylglycine; Vincaleukoblastine, O(sup 4)-deacetyl-, 4-ester with N,N-dimethylglycine; Vinglicinato [ BRN 1207061; C48H63N5O9; Deacety…

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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) 5.38 14.97 -75.96 5 14 2 160 856.074 12 ↓
Mid Mid (pH 6-8) 5.38 12.61 -36.85 4 14 1 159 855.066 12 ↓
Mid Mid (pH 6-8) 5.38 17.64 -150.3 6 14 3 161 857.082 12 ↓
Mid Mid (pH 6-8) 5.38 15.27 -97.85 5 14 2 160 856.074 12 ↓

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

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