UCSF

ZINC40459523

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 20 No

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) 0.86 1.67 -47.66 5 5 1 88 281.376 6
Mid Mid (pH 6-8) 0.86 1.31 -12.27 4 5 0 87 280.368 6

Activity (Go SEA)

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