UCSF

ZINC20351039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 2.26 6.85 -7.91 1 5 0 48 273.384 5
Lo Low (pH 4.5-6) 2.26 6.97 -33.31 2 5 1 49 274.392 5

Activity (Go SEA)

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