UCSF

ZINC04259956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 31 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) 3.84 5.5 -15.94 4 8 0 120 442.903 6
Mid Mid (pH 6-8) 3.84 6.27 -61.77 3 8 -1 123 441.895 6

Activity (Go SEA)

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