UCSF

ZINC68948549

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 14 Yes

Popular Name: (2S)-N1-cyclopropyl-N2-(cyclopropylmethyl)-N2-ethyl-propane-1,2-diamine (2S)-N1-cyclopropyl-N2-(cyclopro…

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) 2.07 7.76 -106.66 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 2.07 6.45 -29.46 2 2 1 16 197.346 7 ↓
Mid Mid (pH 6-8) 2.07 5.86 -31.1 2 2 1 20 197.346 7 ↓

Activity (Go SEA)

Rings

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

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