UCSF

ZINC09234538

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 38 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[(5,8-dimethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-hydroxy 1-(3-dimethylaminopropyl)-4-[(5,…

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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) 2.53 11.11 -81.89 1 10 0 110 522.602 10 ↓
Mid Mid (pH 6-8) 2.98 10.96 -91.38 3 10 2 108 524.618 9 ↓
Mid Mid (pH 6-8) 2.98 10.54 -47.02 2 10 1 107 523.61 9 ↓
Mid Mid (pH 6-8) 1.95 1.66 -57.69 1 10 1 103 523.61 10 ↓
Mid Mid (pH 6-8) 1.95 1.86 -86.77 2 10 2 105 524.618 10 ↓

Activity (Go SEA)

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