UCSF

ZINC34721912

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 17 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) -4.49 4.58 -100.93 1 8 -2 128 246.219 9
Lo Low (pH 4.5-6) -4.49 4.46 -118.47 1 8 -2 128 246.219 9
Lo Low (pH 4.5-6) -4.49 6.84 -83.85 2 8 -1 129 247.227 9

Activity (Go SEA)

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