UCSF

ZINC20370007

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 No

Popular Name: 1-(3-nitro-4-pyridyl)-1,4-diazepane 1-(3-nitro-4-pyridyl)-1,4-diazepane

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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) 0.42 4.52 -46.77 2 6 1 79 223.256 2 ↓
Mid Mid (pH 6-8) 0.42 4.95 -98.19 3 6 2 80 224.264 2 ↓

Activity (Go SEA)

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