UCSF

ZINC41305893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 28 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) 2.89 10.7 -18.06 0 6 0 50 398.894 5
Lo Low (pH 4.5-6) 2.89 11.69 -58.4 1 6 1 51 399.902 5
Lo Low (pH 4.5-6) 2.89 9.83 -38.58 1 6 1 51 399.902 5
Lo Low (pH 4.5-6) 2.89 12.02 -113.7 2 6 2 53 400.91 5

Activity (Go SEA)

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