UCSF

ZINC19453639

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 28 Yes

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

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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) 3.39 8.17 -107.33 3 6 2 64 384.524 5 ↓
Hi High (pH 8-9.5) 3.39 5.42 -10.76 1 6 0 62 382.508 5 ↓
Hi High (pH 8-9.5) 3.39 5.77 -30.24 2 6 1 63 383.516 5 ↓
Mid Mid (pH 6-8) 3.39 7.81 -46.66 2 6 1 63 383.516 5 ↓

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

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