UCSF

ZINC69075613

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 18 Yes

Popular Name: (1S)-1-cyclopropyl-N'-methyl-N'-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-N-propyl-ethane-1,2-diamine (1S)-1-cyclopropyl-N'-methyl-N'-…

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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) 2.40 9.62 -84.48 3 3 2 24 255.45 8 ↓
Hi High (pH 8-9.5) 2.40 6.2 -31.47 2 3 1 20 254.442 8 ↓
Mid Mid (pH 6-8) 2.40 9.45 -197.91 4 3 3 25 256.458 8 ↓
Mid Mid (pH 6-8) 2.40 6.94 -32.88 2 3 1 23 254.442 8 ↓

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Rings

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

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