UCSF

ZINC36278914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) -1.01 -0.83 -43.39 5 6 1 88 250.326 5
Lo Low (pH 4.5-6) -1.01 -0.48 -85.97 6 6 2 89 251.334 5

Activity (Go SEA)

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