UCSF

ZINC12413273

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 38 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) 6.70 14.9 -20.61 2 6 0 85 532.706 6
Mid Mid (pH 6-8) 6.82 -1.52 -9.93 1 6 0 85 532.706 6

Activity (Go SEA)

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