UCSF

ZINC35816133

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 3.21 10.99 -23.77 1 7 0 75 434.471 6
Lo Low (pH 4.5-6) 3.21 11.32 -52.38 2 7 1 76 435.479 6

Activity (Go SEA)

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