UCSF

ZINC11820235

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 30 Yes

Popular Name: [(1S)-1-(2-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4,5,6,7-tetrahydro-2H-indazol-3-yl)m [(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) 3.61 9.85 -12.04 2 6 0 78 397.482 2 ↓
Lo Low (pH 4.5-6) 3.61 10.38 -41.88 3 6 1 79 398.49 2 ↓

Activity (Go SEA)

Rings

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