UCSF

ZINC25509967

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 3.37 5.02 -17.76 2 6 0 85 420.384 7
Hi High (pH 8-9.5) 3.37 5.06 -47.37 1 6 -1 87 419.376 7

Activity (Go SEA)

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