UCSF

ZINC35450567

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 27 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) -0.74 5.25 -23.38 1 9 0 108 369.381 7
Lo Low (pH 4.5-6) -0.74 5.71 -45.67 2 9 1 109 370.389 7

Activity (Go SEA)

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