UCSF

ZINC43510855

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 No

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) 2.71 5.36 -53.42 1 3 -1 60 249.33 2
Lo Low (pH 4.5-6) 2.71 3.44 -7.31 2 3 0 58 250.338 2

Activity (Go SEA)

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