UCSF

ZINC19453637

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 3.63 12.52 -112.63 2 5 2 44 392.547 6 ↓
Hi High (pH 8-9.5) 3.63 9.83 -10.55 0 5 0 41 390.531 6 ↓
Hi High (pH 8-9.5) 3.63 10.19 -30.12 1 5 1 43 391.539 6 ↓
Mid Mid (pH 6-8) 3.63 12.16 -51.55 1 5 1 43 391.539 6 ↓

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

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