UCSF

ZINC39228418

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 32 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 5.76 -16.26 2 7 0 80 438.572 4
Lo Low (pH 4.5-6) 2.26 8.06 -42.78 3 7 1 81 439.58 4

Activity (Go SEA)

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