UCSF

ZINC43428020

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 Yes

Popular Name: (4aS,7aS)-4-[[(2S,4R)-4-methoxypyrrolidin-2-yl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4] (4aS,7aS)-4-[[(2S,4R)-4-methoxyp…

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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) 0.95 1.61 -38.54 2 4 1 38 241.355 3 ↓
Hi High (pH 8-9.5) 0.95 0.28 -2.97 1 4 0 34 240.347 3 ↓
Mid Mid (pH 6-8) 0.95 2.69 -33.16 2 4 1 35 241.355 3 ↓
Lo Low (pH 4.5-6) 0.95 4.03 -118.49 3 4 2 40 242.363 3 ↓

Activity (Go SEA)

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