UCSF

ZINC69800573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: (2R,3R)-1-propyl-2-(2-thienyl)azepan-3-amine (2R,3R)-1-propyl-2-(2-thienyl)az…

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) 2.47 4.5 -34.64 3 2 1 31 239.408 3 ↓
Hi High (pH 8-9.5) 2.47 4.04 -1.88 2 2 0 29 238.4 3 ↓
Lo Low (pH 4.5-6) 2.47 6.35 -99.99 4 2 2 32 240.416 3 ↓
Lo Low (pH 4.5-6) 2.47 5.95 -29.15 3 2 1 30 239.408 3 ↓

Activity (Go SEA)

Rings

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

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