UCSF

ZINC13119793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 No

Other Names:

MFCD03082688

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) 4.30 9.25 -9.39 0 4 0 47 323.421 4
Ref Reference (pH 7) 4.30 9.85 -8.86 0 4 0 47 323.421 4
Lo Low (pH 4.5-6) 4.30 9.73 -37.85 1 4 1 49 324.429 4
Lo Low (pH 4.5-6) 4.30 10.33 -37.4 1 4 1 49 324.429 4

Activity (Go SEA)

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