UCSF

ZINC43395878

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) -0.67 -0.14 -38.99 5 6 1 94 251.31 4
Hi High (pH 8-9.5) -0.67 -1.6 -10.48 4 6 0 89 250.302 4
Lo Low (pH 4.5-6) -0.67 0.15 -90.37 6 6 2 95 252.318 4

Activity (Go SEA)

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