UCSF

ZINC36368056

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 No

Popular Name: (1S,3R)-1-(2-hydroxy-3-methyl-5-nitro-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic (1S,3R)-1-(2-hydroxy-3-methyl-5-…

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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) 1.53 6.01 -56.19 3 8 -1 134 366.353 3 ↓
Mid Mid (pH 6-8) 1.53 7.26 -42.4 4 8 0 139 367.361 3 ↓
Mid Mid (pH 6-8) 1.53 6.76 -102.58 2 8 -2 137 365.345 3 ↓

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