UCSF

ZINC69947363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 Yes

Popular Name: 1-[4-(2-pyridyl)piperazin-1-yl]-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino 1-[4-(2-pyridyl)piperazin-1-yl]-…

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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) -0.31 7.94 -104.73 3 8 2 85 343.435 4 ↓
Hi High (pH 8-9.5) -0.31 6.45 -16.49 1 8 0 79 341.419 4 ↓
Mid Mid (pH 6-8) -0.31 6.76 -43.99 2 8 1 80 342.427 4 ↓
Mid Mid (pH 6-8) -0.31 7.61 -62.16 2 8 1 84 342.427 4 ↓

Activity (Go SEA)

Rings

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

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