UCSF

ZINC52845825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 28 Yes

Popular Name: 2-[[[(1S)-indan-1-yl]-prop-2-ynyl-amino]methyl]-3H-benzofuro[3,2-d]pyrimidin-4-one 2-[[[(1S)-indan-1-yl]-prop-2-yny…

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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) 3.32 9.17 -14.64 1 5 0 62 369.424 4 ↓
Hi High (pH 8-9.5) 3.78 6.52 -57.82 0 5 -1 65 368.416 4 ↓
Hi High (pH 8-9.5) 3.78 8.35 -54.44 1 5 0 66 369.424 4 ↓
Lo Low (pH 4.5-6) 3.32 11.46 -49.73 2 5 1 63 370.432 4 ↓

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Rings

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

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