UCSF

ZINC12536987

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 No

Popular Name: (5S)-4-amino-5-(4-methoxyphenyl)-2-methylsulfanyl-7,8,9,10-tetrahydro-5H-pyrimido[6,5-b]quinolin-6-o (5S)-4-amino-5-(4-methoxyphenyl)…

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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) 3.35 7.7 -13.12 3 6 0 90 368.462 3 ↓
Lo Low (pH 4.5-6) 3.35 7.99 -34.7 4 6 1 91 369.47 3 ↓
Lo Low (pH 4.5-6) 3.35 3.95 -30.66 4 6 1 91 369.47 3 ↓

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