UCSF

ZINC55568755

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 26 Yes

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) 3.07 12.21 -49.24 1 4 1 38 354.518 10
Hi High (pH 8-9.5) 3.07 10.04 -13.31 0 4 0 36 353.51 10
Lo Low (pH 4.5-6) 3.07 12.6 -82.04 2 4 2 39 355.526 10

Activity (Go SEA)

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