UCSF

ZINC11817515

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 32 Yes

Popular Name: [(1S)-1-(2-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[2-(pyrrolidin-1-ylmethyl)thiazol-5-y [(1S)-1-(2-pyridyl)-1,3,4,9-tetr…

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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) 2.92 -1.77 -51.13 2 6 1 66 444.584 4 ↓
Lo Low (pH 4.5-6) 2.92 -1.3 -88.67 3 6 2 68 445.592 4 ↓

Activity (Go SEA)

Rings

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