UCSF

ZINC39677968

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 39 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) 2.55 8.21 -51.44 3 8 1 88 535.709 9
Lo Low (pH 4.5-6) 2.55 10.47 -107.56 4 8 2 89 536.717 9

Activity (Go SEA)

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