UCSF

ZINC00608360

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 30 Yes

Popular Name: MI MI

Find On: PubMed — Wikipedia — Google

CAS Number: 548-00-5

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) 3.17 10.32 -144.54 0 8 -2 133 406.346 5 ↓
Mid Mid (pH 6-8) 3.17 9.49 -67.48 1 8 -1 130 407.354 5 ↓
Mid Mid (pH 6-8) 3.17 9.76 -70.02 1 8 -1 130 407.354 5 ↓
Lo Low (pH 4.5-6) 3.17 8.17 -25.05 2 8 0 127 408.362 5 ↓
Lo Low (pH 4.5-6) 3.17 9.14 -30.85 2 8 0 127 408.362 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.507 Bitter DB

Activity (Go SEA)

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