UCSF

ZINC35267340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 5.55 14.46 -29.47 1 6 0 75 462.619 8
Hi High (pH 8-9.5) 5.74 11.67 -68.3 0 6 -1 82 461.611 8

Activity (Go SEA)

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