UCSF

ZINC35124623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 16 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) -0.22 5.51 -86.97 2 5 1 52 230.332 6
Hi High (pH 8-9.5) -0.22 3.24 -67.83 1 5 0 51 229.324 6

Activity (Go SEA)

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