UCSF

ZINC39228970

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 28 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) 2.65 9.69 -12.09 1 5 0 58 376.435 5
Lo Low (pH 4.5-6) 2.65 10.15 -40.25 2 5 1 59 377.443 5

Activity (Go SEA)

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