UCSF

ZINC67603561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 Yes

Popular Name: 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxyli 2-(1,4-dimethyl-1,4,9-triazaspir…

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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) 1.92 9.32 -59.58 2 6 1 65 345.467 2 ↓
Hi High (pH 8-9.5) 1.92 7.26 -37.98 1 6 0 64 344.459 2 ↓
Hi High (pH 8-9.5) 1.92 9.5 -77.6 2 6 1 65 345.467 2 ↓

Activity (Go SEA)

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