UCSF

ZINC04551630

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 22 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) 1.70 5.06 -42.71 2 7 -1 114 340.768 4
Hi High (pH 8-9.5) 1.70 5.83 -89.61 1 7 -2 117 339.76 4
Hi High (pH 8-9.5) 1.70 5.81 -102.37 1 7 -2 117 339.76 4

Activity (Go SEA)

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