UCSF

ZINC40918630

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 33 Yes

Popular Name: N-[3-[(4aS,7aS)-1-cyclopentyl-4-hydroxy-2-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-3-yl]-1,1 N-[3-[(4aS,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 3.26 -57.4 1 10 -1 144 493.587 4 ↓
Hi High (pH 8-9.5) 2.02 2.57 -217.51 0 10 -3 152 491.571 4 ↓
Mid Mid (pH 6-8) 1.44 2.82 -120.98 0 10 -2 146 492.579 4 ↓
Mid Mid (pH 6-8) 1.44 2.65 -53.92 1 10 -1 144 493.587 4 ↓
Mid Mid (pH 6-8) 2.02 2.91 -107.92 1 10 -2 150 492.579 4 ↓
Lo Low (pH 4.5-6) 1.44 3.1 -27.1 2 10 0 142 494.595 4 ↓

Activity (Go SEA)

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