UCSF

ZINC39230134

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 2.26 4.72 -10.42 2 6 0 72 313.357 6
Lo Low (pH 4.5-6) 2.26 5.2 -39.63 3 6 1 74 314.365 6

Activity (Go SEA)

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