UCSF

ZINC02784510

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 35 No

Popular Name: 4-[[2-[(3aR,6aR)-4,6-diketo-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]ac 4-[[2-[(3aR,6aR)-4,6-diketo-5-(2…

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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) 2.41 6.9 -24.73 1 10 0 121 493.373 7 ↓
Ref Reference (pH 7) 2.41 6.29 -18.34 1 10 0 121 493.373 7 ↓
Ref Reference (pH 7) 2.41 5.91 -19.01 1 10 0 121 493.373 7 ↓
Ref Reference (pH 7) 2.41 5.88 -16.81 1 10 0 121 493.373 7 ↓
Hi High (pH 8-9.5) 3.54 5.37 -137.43 1 10 -2 137 491.357 7 ↓
Mid Mid (pH 6-8) 2.41 6.08 -79.73 2 10 1 122 494.381 7 ↓
Mid Mid (pH 6-8) 3.54 3.85 -22.56 3 10 0 132 493.373 7 ↓

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

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