UCSF

ZINC05801288

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 27 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) 2.26 11.34 -9.84 2 9 0 106 365.397 2
Mid Mid (pH 6-8) 2.26 11.36 -34.93 3 9 1 107 366.405 2

Activity (Go SEA)

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