UCSF

ZINC21634178

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 3.36 4.77 -67.43 2 7 1 80 442.92 7
Mid Mid (pH 6-8) 3.36 5.64 -22.27 1 7 0 79 441.912 7

Activity (Go SEA)

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