UCSF

ZINC34368062

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 18 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) 2.49 5.63 -13.07 1 5 0 77 248.234 3
Hi High (pH 8-9.5) 2.49 6.4 -37.42 0 5 -1 80 247.226 3

Activity (Go SEA)

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