UCSF

ZINC00799380

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 30 No

Popular Name: (5S)-4-(4-fluorobenzoyl)-1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-keto-5-(3-pyridyl)-3-pyrrolin-3-ola (5S)-4-(4-fluorobenzoyl)-1-(5-is…

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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) 2.49 9 -36.59 0 7 -1 99 423.449 5 ↓
Mid Mid (pH 6-8) 2.94 -0.06 -28 1 7 0 96 424.457 4 ↓
Mid Mid (pH 6-8) 1.91 0.15 -17.57 0 7 0 93 424.457 5 ↓
Lo Low (pH 4.5-6) 2.94 0.05 -58.36 2 7 1 97 425.465 4 ↓

Activity (Go SEA)

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