UCSF

ZINC35102036

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) -0.44 -0.29 -47.83 5 4 1 80 209.269 6
Hi High (pH 8-9.5) -0.44 -1.62 -9.38 4 4 0 75 208.261 6

Activity (Go SEA)

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