UCSF

ZINC67473251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: 1-[4-[[1-[(1R)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-1,4-diazepan-1-yl]-2-methoxy- 1-[4-[[1-[(1R)-cyclohex-2-en-1-y…

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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) 2.08 9.74 -44.07 1 5 1 37 348.511 5 ↓
Hi High (pH 8-9.5) 2.08 7.38 -10.15 0 5 0 36 347.503 5 ↓
Mid Mid (pH 6-8) 2.08 11.54 -108.45 2 5 2 38 349.519 5 ↓
Mid Mid (pH 6-8) 2.08 9.18 -43.61 1 5 1 37 348.511 5 ↓

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

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