UCSF

ZINC33899401

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 39 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) 2.56 13.67 -35.81 2 8 0 113 528.605 11
Mid Mid (pH 6-8) 2.56 12.61 -55.1 1 8 -1 108 527.597 11

Activity (Go SEA)

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