UCSF

ZINC19413561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 13 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) -0.09 0.84 -37.16 3 4 1 55 187.263 4
Hi High (pH 8-9.5) -0.09 -0.52 -6.36 2 4 0 50 186.255 4

Activity (Go SEA)

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