UCSF

ZINC22939709

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 18 No

Popular Name: (11R,12R)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine (11R,12R)-9,10-Dihydro-9,10-etha…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 138517-66-5 , 181139-49-1

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) 0.80 4.83 -40.11 5 2 1 54 237.326 0 ↓
Lo Low (pH 4.5-6) 0.80 5.14 -134.3 6 2 2 55 238.334 0 ↓

Activity (Go SEA)

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

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