UCSF

ZINC41655428

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

Popular Name: 2,7,9-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic 2,7,9-trimethyl-3,4-dihydro-1H-b…

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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) 2.78 9.12 -80.59 2 4 1 59 271.34 1 ↓
Hi High (pH 8-9.5) 2.78 6.33 -52.95 0 4 -1 56 269.324 1 ↓
Mid Mid (pH 6-8) 2.78 8.75 -53.89 1 4 0 57 270.332 1 ↓
Mid Mid (pH 6-8) 2.78 6.71 -45.78 1 4 0 58 270.332 1 ↓

Activity (Go SEA)

Rings

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