UCSF

ZINC53669760

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 29 Yes

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

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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) 0.62 0.27 -107.21 1 10 -2 150 438.487 3 ↓
Mid Mid (pH 6-8) 0.04 -0.19 -53.7 1 10 -1 144 439.495 3 ↓
Mid Mid (pH 6-8) 0.04 0.42 -29.46 1 10 0 144 439.495 3 ↓
Lo Low (pH 4.5-6) 0.04 0.26 -28.57 2 10 0 142 440.503 3 ↓
Lo Low (pH 4.5-6) 0.04 -0.26 -25.15 2 10 0 142 440.503 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.