UCSF

ZINC36229517

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 6.02 11.31 -6.37 1 3 0 37 359.926 3
Lo Low (pH 4.5-6) 6.02 11.66 -27.4 2 3 1 39 360.934 3

Activity (Go SEA)

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