UCSF

ZINC35305442

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 18 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) -0.96 3.78 -41.08 1 7 0 96 248.242 5
Hi High (pH 8-9.5) -0.96 1.53 -52.34 0 7 -1 95 247.234 5
Lo Low (pH 4.5-6) -0.96 4.34 -71.75 2 7 1 98 249.25 5

Activity (Go SEA)

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