UCSF

ZINC63270108

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 30 No

Popular Name: [4-[(3S)-3-[(4aR)-1,3,4,4a-tetrahydropyrido[4,3-b]indol-2-yl]-2,5-dioxo-pyrrolidin-1-yl]phenyl] [4-[(3S)-3-[(4aR)-1,3,4,4a-tetra…

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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) 1.58 8.49 -41.73 1 7 1 81 404.446 4 ↓
Mid Mid (pH 6-8) 1.58 10.68 -122.55 2 7 2 82 405.454 4 ↓

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

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