UCSF

ZINC26144520

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 29 No

Popular Name: N-[3-[[5-[2,5-dimethyl-1-(2H-1,2,4-triazol-3-yl)pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-yl]amino]phenyl]a N-[3-[[5-[2,5-dimethyl-1-(2H-1,2…

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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) 1.62 11.58 -95.91 1 9 -2 113 406.475 5 ↓
Ref Reference (pH 7) 1.62 11.77 -54.55 2 9 -1 114 407.483 5 ↓
Hi High (pH 8-9.5) 1.62 11.58 -95.93 1 9 -2 113 406.475 5 ↓
Mid Mid (pH 6-8) 1.62 12.05 -29.3 3 9 0 112 408.491 5 ↓
Mid Mid (pH 6-8) 1.62 12.03 -51.28 2 9 -1 111 407.483 5 ↓
Mid Mid (pH 6-8) 1.62 12.22 -22.19 3 9 0 112 408.491 5 ↓
Lo Low (pH 4.5-6) 1.62 11.73 -22.72 3 9 0 112 408.491 4 ↓

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

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