UCSF

ZINC22059268

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 No

Popular Name: DOTA DOTA

Find On: PubMed — Wikipedia — Google

CAS Numbers: 60239-18-1 , 72573-82-1 , [60239-18-1]

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) -5.22 2.84 -112.64 3 12 -1 173 403.412 8 ↓
Mid Mid (pH 6-8) -5.22 4.81 -129.93 2 12 -2 176 402.404 8 ↓
Mid Mid (pH 6-8) -5.22 2.97 -187.4 1 12 -3 175 401.396 8 ↓
Mid Mid (pH 6-8) -5.22 5.08 -160.72 2 12 -2 176 402.404 8 ↓
Lo Low (pH 4.5-6) -5.22 7.32 -130.22 3 12 -1 177 403.412 8 ↓

Vendor Notes

Note Type Comments Provided By
MP 267 TCI

Activity (Go SEA)

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