UCSF

ZINC04892907

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 20 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) 2.78 3 -6.55 2 5 0 71 274.32 3
Lo Low (pH 4.5-6) 2.78 4.2 -36.68 3 5 1 75 275.328 3
Lo Low (pH 4.5-6) 2.78 4.2 -37.15 3 5 1 75 275.328 3

Activity (Go SEA)

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