UCSF

ZINC05163039

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 23 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) -0.62 -0.67 -56.12 7 9 1 147 341.417 6
Lo Low (pH 4.5-6) -0.62 -4.78 -86.81 8 9 2 148 342.425 6
Lo Low (pH 4.5-6) -0.62 -0.4 -85.53 8 9 2 148 342.425 6

Activity (Go SEA)

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