UCSF

ZINC25445386

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 Yes

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) 4.02 7.54 -23.79 2 7 0 101 450.973 7
Hi High (pH 8-9.5) 4.09 6.71 -89.2 0 7 -2 109 448.957 7
Mid Mid (pH 6-8) 4.02 7.61 -45.8 1 7 -1 103 449.965 7

Activity (Go SEA)

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