UCSF

ZINC05978297

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 28 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) 3.75 10.69 -54.09 0 7 -1 106 379.392 7
Mid Mid (pH 6-8) 3.17 1.25 -14.71 0 7 0 100 380.4 7
Mid Mid (pH 6-8) 4.20 1.77 -17.24 1 7 0 103 380.4 6

Activity (Go SEA)

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