UCSF

ZINC35098185

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 13 No

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) -0.02 0.17 -55.59 2 4 1 60 208.303 5
Mid Mid (pH 6-8) -0.02 -0.98 -11.31 1 4 0 55 207.295 5

Activity (Go SEA)

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