UCSF

ZINC12466441

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 25 No

Other Names:

MFCD02954531

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) 6.09 9.01 -9.18 1 4 0 55 352.459 5
Ref Reference (pH 7) 6.09 9.6 -8.7 1 4 0 55 352.459 5
Hi High (pH 8-9.5) 6.09 9.77 -43.31 0 4 -1 57 351.451 5
Hi High (pH 8-9.5) 6.09 10.38 -43.44 0 4 -1 57 351.451 5

Activity (Go SEA)

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