UCSF

ZINC34682240

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 Yes

Popular Name: 2-(4-chlorophenoxy)-N-[6-[4-[(2S)-2-hydroxy-3-morpholino-propyl]-1,4-diazepan-1-yl]-3-pyridyl]acetam 2-(4-chlorophenoxy)-N-[6-[4-[(2S…

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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) 2.24 5.26 -16.1 2 9 0 90 504.031 9 ↓
Mid Mid (pH 6-8) 2.24 7.17 -50.44 3 9 1 92 505.039 9 ↓
Lo Low (pH 4.5-6) 2.24 9.79 -187.97 5 9 3 94 507.055 9 ↓
Lo Low (pH 4.5-6) 2.24 7.94 -88.48 4 9 2 93 506.047 9 ↓
Lo Low (pH 4.5-6) 2.24 9.45 -117.41 4 9 2 93 506.047 9 ↓

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