UCSF

ZINC19926662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 25 Yes

Other Names:

MFCD07759179

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) 2.94 6.91 -20.13 1 5 0 80 374.487 3
Hi High (pH 8-9.5) 3.40 5.79 -53.77 0 5 -1 83 373.479 3

Activity (Go SEA)

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