UCSF

ZINC22902093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.88 5.79 -11.37 2 5 0 70 322.792 3
Hi High (pH 8-9.5) 2.88 6.64 -51.64 1 5 -1 72 321.784 3

Activity (Go SEA)

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