UCSF

ZINC34944027

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 2.87 6.54 -63.49 1 7 -1 93 449.527 7
Mid Mid (pH 6-8) 2.87 8.81 -78.42 2 7 0 94 450.535 7
Lo Low (pH 4.5-6) 2.87 7.92 -49.92 3 7 1 92 451.543 7

Activity (Go SEA)

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