UCSF

ZINC44882114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) -2.72 0.98 -113.74 2 9 -2 156 320.323 6
Lo Low (pH 4.5-6) -2.72 -0.94 -60.8 3 9 -1 153 321.331 6

Activity (Go SEA)

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