UCSF

ZINC09178464

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 37 No

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

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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) 1.80 11.43 -64.84 0 10 -1 114 500.535 9 ↓
Mid Mid (pH 6-8) 2.25 11.58 -20.01 1 10 0 111 501.543 8 ↓
Mid Mid (pH 6-8) 2.25 11.86 -48 2 10 1 112 502.551 8 ↓
Mid Mid (pH 6-8) 2.25 12.09 -46.91 2 10 1 112 502.551 8 ↓
Mid Mid (pH 6-8) 2.25 12.38 -87.06 3 10 2 114 503.559 8 ↓
Mid Mid (pH 6-8) 1.80 11.92 -74.13 1 10 0 115 501.543 9 ↓
Lo Low (pH 4.5-6) 1.80 11.53 -53.32 2 10 1 112 502.551 9 ↓

Activity (Go SEA)

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