UCSF

ZINC39755841

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 29 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) 2.86 9.95 -13.86 1 7 0 86 405.483 8
Lo Low (pH 4.5-6) 2.86 10.42 -45.65 2 7 1 87 406.491 8

Activity (Go SEA)

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