UCSF

ZINC22044088

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) 1.12 1.06 -40.51 3 4 1 49 271.768 4
Hi High (pH 8-9.5) 1.12 -0.28 -6.02 2 4 0 45 270.76 4

Activity (Go SEA)

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