UCSF

ZINC25524512

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 3.83 5.42 -11.61 1 5 0 65 346.766 3
Hi High (pH 8-9.5) 3.83 6.21 -45.38 0 5 -1 68 345.758 3

Activity (Go SEA)

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