UCSF

ZINC23357887

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 35 No

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) 5.92 10.41 -44.41 2 7 1 79 529.473 6
Mid Mid (pH 6-8) 5.92 10.54 -44.8 2 7 1 79 529.473 6
Mid Mid (pH 6-8) 5.92 8.07 -9.91 1 7 0 78 528.465 6

Activity (Go SEA)

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