UCSF

ZINC03961873

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 43 No

Popular Name: 2-[(4-methyl-1,4-diazepan-1-yl)carbothioyl]-N-[[2-methyl-4-(methylBLAHyl)carbonyl-phenyl]methyl]pyrr 2-[(4-methyl-1,4-diazepan-1-yl)c…

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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) 3.62 14.91 -58.93 3 10 1 90 601.801 5 ↓
Hi High (pH 8-9.5) 3.62 12.81 -25.09 2 10 0 89 600.793 5 ↓
Lo Low (pH 4.5-6) 3.62 15.07 -89.29 4 10 2 91 602.809 5 ↓

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