UCSF

ZINC12535228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 2.46 8.03 -54.94 0 9 -1 119 450.471 8
Mid Mid (pH 6-8) 2.91 9.27 -63.95 2 9 1 117 452.487 7
Mid Mid (pH 6-8) 2.46 10.36 -72.69 1 9 0 120 451.479 8

Activity (Go SEA)

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