UCSF

ZINC18206966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 25 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) 4.37 6.43 -23.11 2 5 0 71 352.415 6
Mid Mid (pH 6-8) 4.37 6 -47.71 1 5 -1 74 351.407 6

Activity (Go SEA)

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