UCSF

ZINC07224805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.37 9.58 -44.71 2 2 1 29 273.359 3
Lo Low (pH 4.5-6) 3.37 9.86 -112.73 3 2 2 31 274.367 3

Activity (Go SEA)

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