UCSF

ZINC24378550

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 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) 2.28 6.98 -13.36 2 5 0 61 339.439 8
Lo Low (pH 4.5-6) 2.28 7.72 -27.06 3 5 0 63 340.447 8

Activity (Go SEA)

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