UCSF

ZINC13127697

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 3.19 7.97 -57.99 0 7 -1 82 449.527 9
Mid Mid (pH 6-8) 2.61 11.04 -64.27 1 7 1 77 451.543 9
Mid Mid (pH 6-8) 3.19 10.32 -72.25 1 7 0 83 450.535 9

Activity (Go SEA)

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