UCSF

ZINC19948905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 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) 4.46 9.26 -18.39 2 6 0 83 418.522 7
Hi High (pH 8-9.5) 4.46 9.31 -41.79 1 6 -1 81 417.514 7

Activity (Go SEA)

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