UCSF

ZINC52565365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 36 Yes

Popular Name: 1-[6-[(1R,2R,4S,5S)-2,4-diguanidino-5-[(5-guanidino-2-pyridyl)oxy]cyclohexoxy]-3-pyridyl]guanidine 1-[6-[(1R,2R,4S,5S)-2,4-diguanid…

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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) -1.84 0.33 -214.85 20 16 4 299 502.588 12 ↓
Hi High (pH 8-9.5) -1.97 -0.03 -97.58 18 16 2 298 500.572 11 ↓
Hi High (pH 8-9.5) -2.10 -0.72 -96.93 18 16 2 300 500.572 10 ↓
Mid Mid (pH 6-8) -1.97 -0.22 -146.71 19 16 3 300 501.58 11 ↓

Activity (Go SEA)

Rings

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

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