UCSF

ZINC06142027

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 26 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) 3.69 8.31 -16.41 1 5 0 68 424.956 4
Mid Mid (pH 6-8) 3.69 9.23 -59.01 0 5 -1 70 423.948 4

Activity (Go SEA)

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