UCSF

ZINC22467478

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 28 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) 4.22 9.83 -43.92 2 4 1 37 410.022 7
Mid Mid (pH 6-8) 4.22 7.51 -4.2 1 4 0 36 409.014 7

Activity (Go SEA)

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