UCSF

ZINC55231326

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 33 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) 3.56 9.77 -18.34 1 7 0 69 442.519 7
Mid Mid (pH 6-8) 3.56 10.21 -39.16 2 7 1 70 443.527 7

Activity (Go SEA)

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