UCSF

ZINC05273628

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 25 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) 3.36 7.67 -49.61 2 5 -1 98 353.479 13
Lo Low (pH 4.5-6) 3.36 5.69 -10.63 3 5 0 95 354.487 13

Activity (Go SEA)

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