UCSF

ZINC67050634

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 27 No

Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1-propyl-pyrido[2,3-d]pyrimidine-6-carbo N-[(4-ethyl-5-sulfanyl-1,2,4-tri…

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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) -0.76 5.68 -19.33 3 10 0 130 389.441 6 ↓
Hi High (pH 8-9.5) 0.42 2.95 -89.75 1 10 -2 131 387.425 6 ↓
Mid Mid (pH 6-8) -0.04 5.46 -45.13 2 10 -1 128 388.433 6 ↓
Mid Mid (pH 6-8) -0.30 3.15 -55.08 2 10 -1 134 388.433 6 ↓

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

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