UCSF

ZINC37322241

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 Yes

Popular Name: (1S,8R)-N-[(5S)-8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1- (1S,8R)-N-[(5S)-8-bromo-2,3,4,5-…

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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) 2.51 6.31 -39.02 2 3 1 29 352.296 2 ↓
Hi High (pH 8-9.5) 2.51 5.86 -2.73 1 3 0 24 351.288 2 ↓
Lo Low (pH 4.5-6) 2.51 8.37 -31.17 2 3 1 26 352.296 2 ↓
Lo Low (pH 4.5-6) 2.51 8.81 -102.07 3 3 2 30 353.304 2 ↓

Activity (Go SEA)

Rings

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