UCSF

ZINC53437953

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 No

Popular Name: N-[(2-bromophenyl)methyl]-N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N-[(2-bromophenyl)methyl]-N'-[(3…

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) 1.81 1.99 -12.66 1 4 0 49 361.305 6 ↓
Mid Mid (pH 6-8) 1.81 4.37 -49.92 2 4 1 51 362.313 6 ↓
Lo Low (pH 4.5-6) 1.81 3.13 -59.69 2 4 1 54 362.313 6 ↓
Lo Low (pH 4.5-6) 1.81 5.52 -142.64 3 4 2 55 363.321 6 ↓

Activity (Go SEA)

Rings

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

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