UCSF

ZINC05012041

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 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) 3.22 10.66 -38.71 0 5 -1 73 403.845 5
Mid Mid (pH 6-8) 3.66 9.12 -31.02 1 5 0 71 404.853 4
Mid Mid (pH 6-8) 2.63 10.1 -24.59 0 5 0 67 404.853 5
Lo Low (pH 4.5-6) 3.22 9.72 -49.52 2 5 1 72 405.861 5
Lo Low (pH 4.5-6) 2.63 10.38 -60.21 1 5 1 69 405.861 5

Activity (Go SEA)

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