UCSF

ZINC03581324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) -1.52 -9.59 -145.66 4 12 -2 191 345.208 4
Lo Low (pH 4.5-6) -1.52 -9.45 -145.97 5 12 -1 192 346.216 4
Lo Low (pH 4.5-6) -1.52 -9.44 -153.77 5 12 -1 192 346.216 4

Activity (Go SEA)

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