UCSF

ZINC06252724

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 21 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) 2.95 4.07 -10.37 1 5 0 60 286.331 5
Lo Low (pH 4.5-6) 2.95 4.79 -37.59 2 5 1 62 287.339 5

Activity (Go SEA)

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