UCSF

ZINC68948742

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3R)-N-(cyclopropylmethyl)-N-ethyl-azepan-3-amine (3R)-N-(cyclopropylmethyl)-N-eth…

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) 1.92 6.61 -105.24 3 2 2 21 198.354 4 ↓
Hi High (pH 8-9.5) 1.92 3.35 -0.65 1 2 0 15 196.338 4 ↓
Hi High (pH 8-9.5) 1.92 4.51 -37.17 2 2 1 20 197.346 4 ↓
Mid Mid (pH 6-8) 1.92 5.35 -30.08 2 2 1 16 197.346 4 ↓

Activity (Go SEA)

Rings

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

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