UCSF

ZINC22044975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 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) 4.16 8.76 -28.68 1 3 0 31 353.293 7
Mid Mid (pH 6-8) 4.16 8.37 -39.26 2 3 1 28 354.301 7
Mid Mid (pH 6-8) 4.16 9.03 -50.44 1 3 0 31 353.293 7

Activity (Go SEA)

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