UCSF

ZINC50890844

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2010 13 Yes

Popular Name: 1-[(1R)-1-methylpentyl]-1,4-diazepane 1-[(1R)-1-methylpentyl]-1,4-diaz…

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Download: MOL2 SDF SMILES Flexibase

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) 2.18 4.58 -35.31 2 2 1 20 185.335 4 ↓
Hi High (pH 8-9.5) 2.18 3.3 -0.84 1 2 0 15 184.327 4 ↓
Mid Mid (pH 6-8) 2.18 4.94 -27.51 2 2 1 16 185.335 4 ↓
Lo Low (pH 4.5-6) 2.18 6.2 -106.68 3 2 2 21 186.343 4 ↓

Activity (Go SEA)

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