UCSF

ZINC38602208

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 5.41 8.75 -5.56 1 3 0 30 289.419 5
Lo Low (pH 4.5-6) 5.41 9.02 -40.99 2 3 1 35 290.427 5

Activity (Go SEA)

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