UCSF

ZINC66200477

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 36 Yes

Popular Name: pentanoic acid, 5-[[4-[[(6-methoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]amino]-5-oxo-, 3-phenylpropyl ester pentanoic acid, 5-[[4-[[(6-metho…

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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) 3.40 8.81 -60.72 1 10 -1 139 511.58 14 ↓
Lo Low (pH 4.5-6) 3.40 9.23 -24.39 2 10 0 137 512.588 14 ↓

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

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