UCSF

ZINC35609561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 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) -0.44 -2.7 -11.02 3 6 0 87 285.369 4
Lo Low (pH 4.5-6) -0.44 -0.41 -43.18 4 6 1 88 286.377 4

Activity (Go SEA)

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