UCSF

ZINC34971244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 6.15 12.9 -9.09 1 6 0 54 528.48 10
Mid Mid (pH 6-8) 6.15 15.17 -48.71 2 6 1 55 529.488 10

Activity (Go SEA)

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