UCSF

ZINC22044497

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 1.25 1.26 -42.94 3 4 1 49 316.219 4
Hi High (pH 8-9.5) 1.25 -0.09 -6.07 2 4 0 45 315.211 4

Activity (Go SEA)

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