UCSF

ZINC25498971

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 5.19 8.58 -45.58 1 7 -1 115 382.421 6
Mid Mid (pH 6-8) 4.73 9.69 -14.27 2 7 0 112 383.429 6
Mid Mid (pH 6-8) 4.73 10.71 -45.62 1 7 -1 115 382.421 6

Activity (Go SEA)

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