UCSF

ZINC08837702

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 No

Popular Name: 1-(2-dimethylaminoethyl)-4-[(5,8-dimethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-hydroxy- 1-(2-dimethylaminoethyl)-4-[(5,8…

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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) 2.59 12.02 -73.78 1 10 0 128 463.494 7 ↓
Hi High (pH 8-9.5) 2.59 9.49 -55.23 0 10 -1 127 462.486 7 ↓
Mid Mid (pH 6-8) 2.01 1.19 -61.76 1 10 1 122 464.502 7 ↓
Mid Mid (pH 6-8) 3.04 1.86 -96.45 3 10 2 126 465.51 6 ↓
Mid Mid (pH 6-8) 2.01 1.39 -94.74 2 10 2 123 465.51 7 ↓
Lo Low (pH 4.5-6) 2.59 12.43 -88.43 2 10 1 129 464.502 7 ↓

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