UCSF

ZINC36328657

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 15 Yes

Popular Name: N-cycloheptyl-N-methyl-piperidin-4-amine N-cycloheptyl-N-methyl-piperidin…

Find On: PubMed — Wikipedia — Google

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) 2.58 5.32 -31.88 2 2 1 16 211.373 2 ↓
Mid Mid (pH 6-8) 2.58 4.5 -37.68 2 2 1 20 211.373 2 ↓
Mid Mid (pH 6-8) 2.58 6.68 -101.28 3 2 2 21 212.381 2 ↓

Activity (Go SEA)

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