UCSF

ZINC39754950

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 4.23 11.83 -20.34 1 8 0 91 483.619 9
Hi High (pH 8-9.5) 4.41 10.42 -53.27 0 8 -1 97 482.611 9

Activity (Go SEA)

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