UCSF

ZINC38600439

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 Yes

Popular Name: 1-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-5-yl]phthalazine 1-chloro-4-[(1S,4S)-2,5-diazabic…

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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) 2.52 5.73 -55.27 2 4 1 46 261.736 1 ↓
Hi High (pH 8-9.5) 2.52 4.47 -11.42 1 4 0 41 260.728 1 ↓
Lo Low (pH 4.5-6) 2.52 6.51 -91.56 3 4 2 47 262.744 1 ↓
Lo Low (pH 4.5-6) 2.52 5.86 -87.89 3 4 2 47 262.744 1 ↓

Activity (Go SEA)

Rings

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