UCSF

ZINC22819852

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 19 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) 3.97 7.21 -36.16 3 3 1 46 304.241 5
Hi High (pH 8-9.5) 3.97 6.27 -6.02 2 3 0 41 303.233 5

Activity (Go SEA)

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