UCSF

ZINC35127352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 No

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) -0.75 2.78 -11.5 1 6 0 75 246.27 3
Lo Low (pH 4.5-6) -0.75 3.25 -38.22 2 6 1 76 247.278 3

Activity (Go SEA)

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