UCSF

ZINC53943718

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 22 Yes

Popular Name: (2S)-1-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)pyrrolidine-2-carboxylic (2S)-1-(3-methyl-[1,2,4]triazolo…

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Download: MOL2 SDF SMILES Flexibase

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) -0.14 10.12 -39.33 1 7 0 88 297.318 2 ↓
Mid Mid (pH 6-8) -0.14 9.3 -49.77 0 7 -1 86 296.31 2 ↓

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

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