UCSF

ZINC32508936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 16 Yes

Popular Name: 1-(2-Adamantyl)piperazine 1-(2-Adamantyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 57942-77-5 , 74525-85-2

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) 2.41 7.25 -118.23 3 2 2 21 222.376 1 ↓
Hi High (pH 8-9.5) 2.41 5.79 -38.14 2 2 1 20 221.368 1 ↓
Mid Mid (pH 6-8) 2.41 5.88 -31.18 2 2 1 16 221.368 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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