UCSF

ZINC19453649

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 29 Yes

Popular Name: 7-[(2,3-dimethoxyphenyl)methyl]-2-isopropyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(2,3-dimethoxyphenyl)methyl]-…

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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) 3.23 8.54 -27.92 1 6 1 52 397.543 6 ↓
Hi High (pH 8-9.5) 3.23 8.18 -10.46 0 6 0 51 396.535 6 ↓
Mid Mid (pH 6-8) 3.23 10.96 -102.47 2 6 2 53 398.551 6 ↓
Lo Low (pH 4.5-6) 3.23 10.6 -44.04 1 6 1 52 397.543 6 ↓

Activity (Go SEA)

Rings

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