UCSF

ZINC23549968

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 15 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) 0.15 0.13 -99.8 6 4 2 74 218.341 7
Hi High (pH 8-9.5) 0.15 -0.46 -37.47 5 4 1 72 217.333 7

Activity (Go SEA)

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