UCSF

ZINC19400824

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 0.32 -0.89 -52.8 5 6 1 97 270.353 3
Hi High (pH 8-9.5) 0.32 -1.28 -11.47 4 6 0 96 269.345 3

Activity (Go SEA)

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