UCSF

ZINC35622717

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 32 Yes

Popular Name: (1S,3R)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3- (1S,3R)-1-(3,5-ditert-butyl-4-hy…

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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) 4.03 8.82 -37.07 5 6 0 113 436.552 4 ↓
Hi High (pH 8-9.5) 4.03 7.61 -56.24 4 6 -1 108 435.544 4 ↓

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Rings

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

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