UCSF

ZINC66640096

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 24 No

Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide N-[(4-isopropyl-5-sulfanyl-1,2,4…

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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) 0.36 4.57 -15.64 3 8 0 108 344.4 4 ↓
Hi High (pH 8-9.5) 1.55 2.58 -95.02 1 8 -2 109 342.384 4 ↓
Mid Mid (pH 6-8) 0.82 2.78 -49.72 2 8 -1 112 343.392 4 ↓
Mid Mid (pH 6-8) 1.09 4.36 -44.28 2 8 -1 106 343.392 4 ↓

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

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