UCSF

ZINC36328734

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 13 Yes

Popular Name: N'-cycloheptyl-N,N'-dimethyl-ethane-1,2-diamine N'-cycloheptyl-N,N'-dimethyl-eth…

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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) 2.54 6.15 -108.57 3 2 2 21 186.343 4 ↓
Mid Mid (pH 6-8) 2.54 3.83 -36.21 2 2 1 20 185.335 4 ↓
Mid Mid (pH 6-8) 2.54 4.69 -31.76 2 2 1 16 185.335 4 ↓

Activity (Go SEA)

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