UCSF

ZINC43260157

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 25 No

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) 3.98 12.3 -50.07 0 4 -1 74 339.411 7
Lo Low (pH 4.5-6) 3.98 10.33 -11.44 1 4 0 71 340.419 7
Lo Low (pH 4.5-6) 3.98 10.32 -10.79 1 4 0 71 340.419 7

Activity (Go SEA)

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