UCSF

ZINC18144463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 26 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) -0.32 3.18 -50.02 2 8 -1 116 354.342 5
Lo Low (pH 4.5-6) -0.32 0.61 -55.44 4 8 1 115 356.358 5
Lo Low (pH 4.5-6) -0.25 1.15 -48.91 3 8 0 121 355.35 5
Lo Low (pH 4.5-6) -0.20 2.62 -83.27 4 8 2 113 357.366 5

Activity (Go SEA)

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