UCSF

ZINC22928294

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 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) 1.26 7.7 -51.41 1 9 1 87 443.505 6
Mid Mid (pH 6-8) 1.26 5.38 -11.37 0 9 0 86 442.497 6

Activity (Go SEA)

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