UCSF

ZINC21517856

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 0.73 -3.38 -45.79 3 7 -1 121 268.274 3
Lo Low (pH 4.5-6) 0.73 -2.82 -16.64 4 7 0 118 269.282 3

Activity (Go SEA)

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