UCSF

ZINC63250124

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 27 Yes

Popular Name: (1S,3R,9aR)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxyl (1S,3R,9aR)-1-(4-hydroxy-3,5-dim…

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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) 0.48 3.94 -41.59 3 7 0 105 368.389 4 ↓
Mid Mid (pH 6-8) 0.48 5.09 -70.04 4 7 1 109 369.397 4 ↓

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

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