UCSF

ZINC40512841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 22 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) -0.05 4.66 -16.64 0 6 0 63 303.362 3
Lo Low (pH 4.5-6) -0.05 5.06 -38.16 1 6 1 64 304.37 3

Activity (Go SEA)

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