UCSF

ZINC71552153

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 Yes

Popular Name: (2S,3R)-1-[4-(dimethylamino)-2-(3-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-methyl-2-(m (2S,3R)-1-[4-(dimethylamino)-2-(…

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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) 2.23 8.86 -42.83 2 7 1 79 383.52 6 ↓
Hi High (pH 8-9.5) 2.23 7.77 -9.16 1 7 0 74 382.512 6 ↓
Lo Low (pH 4.5-6) 2.23 9.18 -97.65 3 7 2 80 384.528 6 ↓

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

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