UCSF

ZINC12447027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 32 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) 6.59 12.7 -16.77 1 8 0 113 449.488 5
Mid Mid (pH 6-8) 6.10 12.59 -50.89 0 8 -1 112 448.48 6

Activity (Go SEA)

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