UCSF

ZINC25465002

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 3.30 8.12 -25.52 2 7 0 93 473.601 8
Hi High (pH 8-9.5) 3.76 7.02 -55.56 1 7 -1 96 472.593 8

Activity (Go SEA)

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