UCSF

ZINC39758119

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 3.52 7.63 -23.79 2 6 0 84 352.419 5
Hi High (pH 8-9.5) 3.59 5.97 -59.64 1 6 -1 90 351.411 5

Activity (Go SEA)

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