UCSF

ZINC34683393

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.04 13.77 -41.62 1 6 1 52 455.619 9
Hi High (pH 8-9.5) 5.04 11.41 -12.47 0 6 0 51 454.611 9

Activity (Go SEA)

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