UCSF

ZINC08817797

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 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) 5.38 12.32 -50.98 0 5 -1 73 461.469 4
Lo Low (pH 4.5-6) 5.38 11.51 -14.49 1 5 0 71 462.477 4

Activity (Go SEA)

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