UCSF

ZINC13410075

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 28 Yes

Popular Name: 2-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-carboxylic 2-[(1-allylbenzimidazol-2-yl)sul…

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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) 2.65 9.26 -63.17 1 8 -1 117 395.42 6 ↓
Mid Mid (pH 6-8) 3.10 6.81 -131.45 0 8 -2 120 394.412 6 ↓
Lo Low (pH 4.5-6) 2.65 9.72 -79.63 2 8 0 118 396.428 6 ↓

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

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