UCSF

ZINC23361869

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 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) 3.15 6.69 -17.96 2 8 0 102 420.535 10
Hi High (pH 8-9.5) 3.34 5.64 -46.19 1 8 -1 109 419.527 10

Activity (Go SEA)

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