UCSF

ZINC04884656

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 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) 1.39 5.16 -53.47 1 9 -1 130 388.381 4
Mid Mid (pH 6-8) 1.39 5.28 -110.97 0 9 -2 132 387.373 4

Activity (Go SEA)

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