UCSF

ZINC18155235

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 34 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) 4.82 11.64 -23.84 2 6 0 77 460.574 5
Mid Mid (pH 6-8) 4.93 11.72 -26.5 1 6 0 77 460.574 5
Mid Mid (pH 6-8) 4.77 11.94 -33.32 1 6 0 77 460.574 5

Activity (Go SEA)

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