UCSF

ZINC02787265

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 31 No

Popular Name: 2-[(3aR,6aR)-4,6-diketo-5-(1-naphthyl)-3a,6a-dihydropyrrolo[3,4-d]triazol-1-yl]-N-(3-fluorophenyl)ac 2-[(3aR,6aR)-4,6-diketo-5-(1-nap…

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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) 2.72 6.78 -22.87 1 8 0 94 417.4 4 ↓
Ref Reference (pH 7) 2.72 6.78 -19.81 1 8 0 94 417.4 4 ↓
Ref Reference (pH 7) 2.72 7.7 -22.63 1 8 0 94 417.4 4 ↓
Ref Reference (pH 7) 2.72 7.07 -20.07 1 8 0 94 417.4 4 ↓
Mid Mid (pH 6-8) 2.72 5.82 -61.1 2 8 1 96 418.408 4 ↓

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

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