UCSF

ZINC02013121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 20 No

Popular Name: MBBA MBBA

Find On: PubMed — Wikipedia — Google

CAS Number: 26227-73-6

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) 5.39 10.1 -6.13 0 2 0 22 267.372 6 ↓
Lo Low (pH 4.5-6) 5.39 10.45 -32.24 1 2 1 23 268.38 6 ↓
Lo Low (pH 4.5-6) 5.39 9.75 -34.52 1 2 1 23 268.38 6 ↓

Activity (Go SEA)

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