UCSF

ZINC49573663

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 33 Yes

Popular Name: N-[3-[(4aR,7aS)-1-cyclopentyl-4-hydroxy-2-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-3-yl]-1,1 N-[3-[(4aR,7aS)-1-cyclopentyl-4-…

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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) 1.44 2.46 -26.5 1 10 0 144 493.587 4 ↓
Hi High (pH 8-9.5) 2.02 2.58 -218.97 0 10 -3 152 491.571 4 ↓
Mid Mid (pH 6-8) 1.44 2.15 -22.47 0 10 0 146 492.579 4 ↓
Mid Mid (pH 6-8) 1.44 1.98 -25.91 1 10 0 144 493.587 4 ↓
Mid Mid (pH 6-8) 2.02 2.95 -109.43 1 10 -2 150 492.579 4 ↓
Lo Low (pH 4.5-6) 1.44 2.47 -24.02 2 10 0 142 494.595 4 ↓

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