UCSF

ZINC19688748

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 Yes

Popular Name: 1-(4-pyridinyl)-2,3,4,9-tetrahydro-1H-beta-carboline 1-(4-pyridinyl)-2,3,4,9-tetrahyd…

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CAS Numbers: 3380-84-5 , [3380-84-5]

Download: MOL2 SDF SMILES Flexibase

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) 2.42 5.34 -7.9 2 3 0 41 249.317 1 ↓
Lo Low (pH 4.5-6) 2.42 5.78 -41.98 3 3 1 42 250.325 1 ↓

Activity (Go SEA)

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