UCSF

ZINC22001722

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 25 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) 0.32 2.97 -22.45 1 9 0 130 348.311 6
Mid Mid (pH 6-8) 0.17 3.92 -47.41 1 9 -1 136 347.303 5

Activity (Go SEA)

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