UCSF

ZINC05162489

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 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) 0.56 0.34 -13.92 4 9 0 143 351.322 3
Hi High (pH 8-9.5) 0.26 -2.14 -53.45 2 9 -1 146 350.314 3
Lo Low (pH 4.5-6) 0.56 1.01 -60.66 5 9 1 145 352.33 3

Activity (Go SEA)

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