UCSF

ZINC67740368

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 22 Yes

Popular Name: 3-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-1H-quinolin-2-one 3-[[(3-chlorophenyl)methyl-methy…

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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) 2.94 9.55 -43.32 2 3 1 37 313.808 4 ↓
Mid Mid (pH 6-8) 2.94 7.21 -10.59 1 3 0 36 312.8 4 ↓

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Rings

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