UCSF

ZINC15781555

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 19 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) 0.45 2.54 -86.85 5 4 2 56 271.449 5
Mid Mid (pH 6-8) 0.45 2.48 -100.52 5 4 2 56 271.449 5

Activity (Go SEA)

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