UCSF

ZINC33742086

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.80 5.74 -22.8 2 7 0 74 464.488 8
Mid Mid (pH 6-8) 2.80 8.07 -63.34 3 7 1 75 465.496 8

Activity (Go SEA)

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