UCSF

ZINC36161657

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) -0.17 3.35 -62.27 0 6 -1 95 286.329 2
Lo Low (pH 4.5-6) -0.17 1.94 -18.02 1 6 0 92 287.337 2

Activity (Go SEA)

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