UCSF

ZINC20358931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 25 No

Popular Name: 4-[[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxo-b 4-[[(7S)-7-(4-chlorophenyl)-5-ox…

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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) 0.64 9.73 -53.35 2 9 -1 129 362.753 5 ↓
Ref Reference (pH 7) 0.81 8.3 -101.32 1 9 -2 131 361.745 5 ↓
Hi High (pH 8-9.5) 0.82 7.71 -102.68 1 9 -2 135 361.745 5 ↓
Lo Low (pH 4.5-6) 0.64 7.65 -20.29 3 9 0 126 363.761 5 ↓

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

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