UCSF

ZINC12468234

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 26 No

Other Names:

MFCD02954626

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) 6.43 9.86 -8.91 1 4 0 55 386.904 4
Ref Reference (pH 7) 6.43 9.2 -9.29 1 4 0 55 386.904 4
Hi High (pH 8-9.5) 6.43 9.84 -40.04 0 4 -1 57 385.896 4
Hi High (pH 8-9.5) 6.43 10.58 -39.25 0 4 -1 57 385.896 4

Activity (Go SEA)

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