UCSF

ZINC05738195

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 25 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) 2.12 6.17 -17.71 2 5 0 71 373.865 5
Ref Reference (pH 7) 3.03 7.13 -12.46 2 5 0 71 373.865 5
Hi High (pH 8-9.5) 2.12 5.91 -42.76 1 5 -1 73 372.857 5
Lo Low (pH 4.5-6) 2.12 7.1 -44.06 3 5 1 72 374.873 5

Activity (Go SEA)

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