UCSF

ZINC52503444

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 Yes

Popular Name: (2S)-N1,N2-dicyclopropyl-3-methyl-N2-(2,2,2-trifluoroethyl)butane-1,2-diamine (2S)-N1,N2-dicyclopropyl-3-methy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.89 8.55 -110.97 3 2 2 21 266.351 8 ↓
Hi High (pH 8-9.5) 2.89 5.09 -2.21 1 2 0 15 264.335 8 ↓
Mid Mid (pH 6-8) 2.89 6.36 -40.18 2 2 1 20 265.343 8 ↓

Activity (Go SEA)

Rings

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

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