UCSF

ZINC12401583

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 30 Yes

Popular Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6-isopropyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide 3-amino-N-(1,3-benzodioxol-5-ylm…

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CAS Number: 728025-87-4

Other Names:

MFCD06016382

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) 3.04 4.16 -12.24 3 7 0 90 424.526 4 ↓
Mid Mid (pH 6-8) 3.04 4.52 -36.97 4 7 1 91 425.534 4 ↓
Lo Low (pH 4.5-6) 3.04 -4.49 -109.31 5 7 2 92 426.542 4 ↓

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