UCSF

ZINC33817002

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 18 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) 2.38 6.2 -52.71 1 3 -1 42 257.338 3
Lo Low (pH 4.5-6) 2.38 5.67 -8.37 1 3 0 42 258.346 3
Lo Low (pH 4.5-6) 2.38 6.67 -46.86 2 3 0 43 258.346 3

Activity (Go SEA)

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