UCSF

ZINC18101037

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 27 No

Popular Name: (3Z)-3-[[(4-methoxyphenyl)amino]methylene]-9-methyl-2-sec-butylimino-pyrido[2,1-b]pyrimidin-4-one (3Z)-3-[[(4-methoxyphenyl)amino]…

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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) 4.16 10.63 -17.89 1 6 0 68 364.449 6 ↓
Lo Low (pH 4.5-6) 4.16 10.9 -25.7 2 6 1 70 365.457 6 ↓
Lo Low (pH 4.5-6) 4.16 9.79 -31.71 2 6 1 70 365.457 6 ↓

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

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