UCSF

ZINC12401689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 29 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) 1.80 -0.07 -11.39 2 7 0 109 424.555 4
Lo Low (pH 4.5-6) 1.80 0.04 -36 3 7 1 110 425.563 4

Activity (Go SEA)

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