UCSF

ZINC44220860

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 41 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) 0.83 15.53 -151.72 5 11 -2 206 583.767 28
Hi High (pH 8-9.5) 0.83 15.3 -175.98 4 11 -3 205 582.759 28

Activity (Go SEA)

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