UCSF

ZINC04191815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 37 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) 4.43 0.98 -17.4 1 7 0 88 518.013 9
Lo Low (pH 4.5-6) 4.43 1.09 -47.37 2 7 1 89 519.021 9

Activity (Go SEA)

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