UCSF

ZINC09462998

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 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) 3.82 11.78 -39.73 0 7 -1 96 479.512 8
Mid Mid (pH 6-8) 3.24 0.83 -23.2 0 7 0 89 480.52 8
Lo Low (pH 4.5-6) 3.82 1.11 -51.32 2 7 1 94 481.528 8
Lo Low (pH 4.5-6) 3.24 0.94 -63.37 1 7 1 90 481.528 8

Activity (Go SEA)

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