UCSF

ZINC33850616

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 31 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) -1.82 10.19 -26.29 2 8 1 88 421.525 3
Mid Mid (pH 6-8) -1.82 12.41 -79.45 3 8 2 89 422.533 3

Activity (Go SEA)

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