UCSF

ZINC48709362

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 24 Yes

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) 2.71 6.74 -6.85 1 4 0 48 321.424 6
Lo Low (pH 4.5-6) 2.71 8.65 -44.63 2 4 1 49 322.432 6
Lo Low (pH 4.5-6) 2.71 8.02 -55.62 2 4 1 53 322.432 6
Lo Low (pH 4.5-6) 2.71 9.92 -140.47 3 4 2 54 323.44 6

Activity (Go SEA)

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