UCSF

ZINC58534828

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 40 No

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

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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) 6.14 15.72 -89.33 0 8 -2 123 546.664 14 ↓
Lo Low (pH 4.5-6) 6.14 13.81 -49.34 1 8 -1 121 547.672 14 ↓
Lo Low (pH 4.5-6) 6.14 14.19 -47.89 1 8 -1 121 547.672 14 ↓
Lo Low (pH 4.5-6) 6.14 12.29 -19.94 2 8 0 118 548.68 14 ↓
Lo Low (pH 4.5-6) 6.14 13.81 -49.71 1 8 -1 121 547.672 14 ↓
Lo Low (pH 4.5-6) 6.14 12.29 -19.34 2 8 0 118 548.68 14 ↓
Lo Low (pH 4.5-6) 6.14 13.81 -50.38 1 8 -1 121 547.672 14 ↓
Lo Low (pH 4.5-6) 6.14 12.29 -19.38 2 8 0 118 548.68 14 ↓

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

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