UCSF

ZINC58519815

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 38 No

Popular Name: (5R)-2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-[3-[(1R)-4-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-3-hy (5R)-2-[(E)-N-ethoxy-C-propyl-ca…

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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) 5.61 14.55 -88.76 0 8 -2 123 522.642 12 ↓
Lo Low (pH 4.5-6) 5.61 12.64 -49.15 1 8 -1 121 523.65 12 ↓
Lo Low (pH 4.5-6) 5.61 13.02 -47.79 1 8 -1 121 523.65 12 ↓
Lo Low (pH 4.5-6) 5.61 11.12 -20 2 8 0 118 524.658 12 ↓
Lo Low (pH 4.5-6) 5.61 12.64 -49.47 1 8 -1 121 523.65 12 ↓
Lo Low (pH 4.5-6) 5.61 11.11 -19.38 2 8 0 118 524.658 12 ↓
Lo Low (pH 4.5-6) 5.61 12.64 -50.2 1 8 -1 121 523.65 12 ↓
Lo Low (pH 4.5-6) 5.61 11.12 -19.43 2 8 0 118 524.658 12 ↓

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

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