UCSF

ZINC65519986

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 Yes

Popular Name: 2-[4-(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thiazole 2-[4-(6-ethyl-7,8-dihydro-5H-pyr…

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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) 1.76 10.76 -50.79 1 6 1 50 345.496 3 ↓
Hi High (pH 8-9.5) 1.76 8.47 -11.12 0 6 0 48 344.488 3 ↓
Lo Low (pH 4.5-6) 1.76 11.18 -80.74 2 6 2 51 346.504 3 ↓

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

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