UCSF

ZINC22419327

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 1.06 9.37 -15.27 2 8 0 114 411.487 6
Mid Mid (pH 6-8) 1.52 7.59 -57.84 1 8 -1 117 410.479 6

Activity (Go SEA)

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