UCSF

ZINC05595681

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 29 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) 2.07 4.88 -62.16 1 7 -1 99 416.837 7
Mid Mid (pH 6-8) 2.52 -1.72 -23.5 2 7 0 96 417.845 6
Mid Mid (pH 6-8) 1.49 -2.27 -15.74 1 7 0 93 417.845 7

Activity (Go SEA)

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