UCSF

ZINC04157506

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 36 Yes

Popular Name: [2-methoxy-4-[9-(1,1,3,3-tetramethylbutylamino)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]-ph [2-methoxy-4-[9-(1,1,3,3-tetrame…

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Annotations

Vendors

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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) 7.64 17.53 -31.95 2 6 1 66 486.636 9 ↓
Mid Mid (pH 6-8) 7.64 16.94 -40.27 2 6 1 69 486.636 9 ↓
Mid Mid (pH 6-8) 7.64 17.03 -17.03 1 6 0 65 485.628 9 ↓
Mid Mid (pH 6-8) 7.64 17.5 -95.75 3 6 2 71 487.644 9 ↓

Activity (Go SEA)

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