UCSF

ZINC16096485

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 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) 3.96 5.27 -13.59 2 6 0 92 420.487 6
Hi High (pH 8-9.5) 3.96 5.34 -45.53 1 6 -1 94 419.479 6

Activity (Go SEA)

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