UCSF

ZINC45663102

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) -1.43 0.37 -90.16 6 6 2 90 260.382 9
Hi High (pH 8-9.5) -1.24 -0.9 -84.31 5 6 1 97 259.374 9
Hi High (pH 8-9.5) -1.43 -0.01 -38.18 5 6 1 89 259.374 9

Activity (Go SEA)

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