UCSF

ZINC05445004

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 23 Yes

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) 2.29 10.21 -12.83 1 7 0 78 314.345 5
Hi High (pH 8-9.5) 2.47 10.02 -37.63 0 7 -1 80 313.337 5
Lo Low (pH 4.5-6) 2.47 10.69 -52.41 2 7 1 83 315.353 5

Activity (Go SEA)

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