UCSF

ZINC05252659

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 26 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) 1.44 -10.62 -18.83 3 8 0 121 395.462 5
Hi High (pH 8-9.5) 1.44 -10.04 -42.97 2 8 -1 123 394.454 5

Activity (Go SEA)

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