UCSF

ZINC12537898

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 15 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) 2.07 2.22 -8.71 1 4 0 51 208.261 4
Lo Low (pH 4.5-6) 2.07 2.94 -34.04 2 4 1 52 209.269 4

Activity (Go SEA)

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