UCSF

ZINC04879584

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 29 No

Popular Name: 2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4aS-(4aalpha,5aalpha,6beta,12aalpha))-; 4-de-dimethylaminotetracycline; 4-dedimethylaminotetracycline; 4-des-dimethylaminotetracycline; C20H19NO8; C 2-Naphthacenecarboxamide, 1,4,4a…

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Other Names:

A___PH000732

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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) -0.44 -2.32 -59.59 6 9 -1 181 400.363 1 ↓
Hi High (pH 8-9.5) -1.17 -2.15 -71.86 6 9 -1 181 400.363 0 ↓
Mid Mid (pH 6-8) -1.17 -3.14 -22.12 7 9 0 178 401.371 0 ↓
Lo Low (pH 4.5-6) -0.12 -6.14 -24.87 8 9 0 181 402.379 1 ↓

Activity (Go SEA)

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