UCSF

ZINC05562659

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 30 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) 1.46 7.04 -62.51 1 9 -1 135 408.39 7
Mid Mid (pH 6-8) 1.91 -1.46 -24.02 2 9 0 132 409.398 6
Mid Mid (pH 6-8) 0.88 -1.44 -20.96 1 9 0 129 409.398 7

Activity (Go SEA)

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