UCSF

ZINC13116658

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 No

Other Names:

MFCD05883220

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) 3.41 5.78 -17.45 2 8 0 104 353.382 4
Hi High (pH 8-9.5) 3.14 4.01 -50.4 1 8 -1 104 352.374 4
Hi High (pH 8-9.5) 4.33 2.5 -130.42 0 8 -2 110 351.366 4

Activity (Go SEA)

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