UCSF

ZINC62609149

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 16 Yes

Popular Name: (7S)-7-methyl-1-phenethyl-1,4-diazepane (7S)-7-methyl-1-phenethyl-1,4-di…

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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) 2.04 5.64 -37.99 2 2 1 20 219.352 3 ↓
Hi High (pH 8-9.5) 2.04 4.25 -1.78 1 2 0 15 218.344 3 ↓
Mid Mid (pH 6-8) 2.04 6.29 -34.15 2 2 1 16 219.352 3 ↓
Lo Low (pH 4.5-6) 2.04 7.67 -114.93 3 2 2 21 220.36 3 ↓

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Rings

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

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