UCSF

ZINC22607608

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 27 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) 2.85 8.31 -13.35 1 5 0 56 379.847 2
Ref Reference (pH 7) 2.85 8.55 -15.16 1 5 0 56 379.847 2
Mid Mid (pH 6-8) 2.85 10.74 -58.43 2 5 1 58 380.855 2
Mid Mid (pH 6-8) 2.85 10.73 -56.94 2 5 1 58 380.855 2

Activity (Go SEA)

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