UCSF

ZINC47915481

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 20 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) 0.55 6.13 -49.53 1 6 1 60 285.364 5
Hi High (pH 8-9.5) 0.55 3.96 -13.41 0 6 0 59 284.356 5

Activity (Go SEA)

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