UCSF

ZINC05907666

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 27 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) 3.31 -2.08 -16 1 5 0 66 403.887 5
Mid Mid (pH 6-8) 2.72 -2.24 -24.31 0 5 0 63 403.887 5

Activity (Go SEA)

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