UCSF

ZINC26824894

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 26 No

Download: MOL2 SDF SMILES Flexibase

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) 5.48 12.83 -54.8 0 3 -1 57 353.482 7
Lo Low (pH 4.5-6) 5.48 11.73 -11.7 1 3 0 54 354.49 7

Activity (Go SEA)

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