UCSF

ZINC03646724

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 24 Yes

Popular Name: [1-amino-3-[[4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]propyl [1-amino-3-[[4-[(4-amino-1-methy…

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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) -0.83 0.06 -42.81 8 9 1 146 332.388 6 ↓
Lo Low (pH 4.5-6) -4.84 -0.35 -81.23 8 9 2 144 333.396 6 ↓
Lo Low (pH 4.5-6) -0.83 -0.1 -95.22 9 9 2 147 333.396 6 ↓

Activity (Go SEA)

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