UCSF

ZINC19453625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 32 Yes

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

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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) 1.79 8.74 -125.67 4 8 2 96 441.576 8 ↓
Hi High (pH 8-9.5) 1.79 6.01 -22.25 2 8 0 94 439.56 8 ↓
Hi High (pH 8-9.5) 1.79 6.35 -40.48 3 8 1 95 440.568 8 ↓
Mid Mid (pH 6-8) 1.79 8.4 -66.18 3 8 1 95 440.568 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.