UCSF

ZINC19997280

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 34 No

Popular Name: (5S)-4-(4-chlorobenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5S)-4-(4-chlorobenzoyl)-3-hydro…

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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) 4.72 10.31 -56.21 0 6 -1 73 482 8 ↓
Mid Mid (pH 6-8) 4.72 12.63 -74.26 1 6 0 74 483.008 8 ↓
Lo Low (pH 4.5-6) 4.72 11.81 -53.77 2 6 1 71 484.016 8 ↓

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

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