UCSF

ZINC36965048

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 No

Popular Name: 2-[(2R)-3-(cyclopropylamino)-2-hydroxy-propyl]-4H-isoquinoline-1,3-dione 2-[(2R)-3-(cyclopropylamino)-2-h…

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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) -0.28 4.6 -37.23 3 5 1 74 275.328 5 ↓
Hi High (pH 8-9.5) -0.28 3.32 -9.06 2 5 0 70 274.32 5 ↓

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

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