UCSF

ZINC34538268

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 36 Yes

Popular Name: 7-[(4aS,7aS)-1-(3-ethoxy-3-oxo-propyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-8-cyan 7-[(4aS,7aS)-1-(3-ethoxy-3-oxo-p…

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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) 0.54 15.11 -91.14 1 9 0 120 496.539 8 ↓
Mid Mid (pH 6-8) 0.54 13.09 -58.93 0 9 -1 119 495.531 8 ↓
Lo Low (pH 4.5-6) 0.54 13.1 -51.51 2 9 1 117 497.547 8 ↓

Activity (Go SEA)

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