UCSF

ZINC40915321

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 30 No

Popular Name: 3-[[2-[[(1S,2S)-2-fluoro-1-(4-methyl-2-furyl)propyl]amino]-3,4-dioxo-cyclobuten-1-yl]amino]-2-hydrox 3-[[2-[[(1S,2S)-2-fluoro-1-(4-me…

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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) 1.66 4.06 -18.4 2 8 0 112 415.421 6 ↓
Mid Mid (pH 6-8) 1.66 4.01 -24.46 2 8 0 112 415.421 6 ↓
Mid Mid (pH 6-8) 2.90 4.56 -44.88 3 8 0 120 415.421 6 ↓
Mid Mid (pH 6-8) 3.53 1.82 -116.26 5 8 2 122 417.437 5 ↓
Lo Low (pH 4.5-6) 3.53 1.11 -47.09 4 8 1 120 416.429 5 ↓

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