UCSF

ZINC04898865

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 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) 3.27 7.78 -13.98 1 6 0 75 386.502 6
Lo Low (pH 4.5-6) 3.27 8.08 -38.59 2 6 1 76 387.51 6
Lo Low (pH 4.5-6) 4.20 7.98 -15.21 1 6 0 78 386.502 5

Activity (Go SEA)

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