UCSF

ZINC09043977

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 No

Popular Name: 5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(8-methyl-1,7-diazabicyclo[4.3.0]nona-2, 5-(3,4-dimethoxyphenyl)-1-(2-dim…

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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) 1.88 9.74 -76.02 1 9 0 101 464.522 8 ↓
Hi High (pH 8-9.5) 1.88 7.21 -62.23 0 9 -1 99 463.514 8 ↓
Mid Mid (pH 6-8) 2.32 9.76 -47.11 2 9 1 98 465.53 7 ↓
Mid Mid (pH 6-8) 2.32 10.18 -97 3 9 2 99 466.538 7 ↓

Activity (Go SEA)

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