UCSF

ZINC66438110

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 24 No

Popular Name: (2S)-N-(allylcarbamoyl)-2-[4-(4-methylthiazol-2-yl)-1,4-diazepan-1-yl]propanamide (2S)-N-(allylcarbamoyl)-2-[4-(4-…

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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) 1.21 7.31 -49.53 3 7 1 79 352.484 5 ↓
Hi High (pH 8-9.5) 1.21 5.2 -23.65 2 7 0 78 351.476 5 ↓
Lo Low (pH 4.5-6) 1.21 7.7 -98.74 4 7 2 80 353.492 5 ↓

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

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