UCSF

ZINC34944216

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.44 8.07 -9.67 2 4 0 76 324.746 2
Lo Low (pH 4.5-6) 3.44 8.42 -32.71 3 4 1 77 325.754 2
Lo Low (pH 4.5-6) 3.44 8.42 -38.28 3 4 1 77 325.754 2

Activity (Go SEA)

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