UCSF

ZINC25496878

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 1.11 1.75 -23.67 5 9 0 128 425.489 12
Mid Mid (pH 6-8) 1.11 3.33 -64.41 6 9 1 133 426.497 12

Activity (Go SEA)

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