UCSF

ZINC20218954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 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) 2.78 12.06 -71.14 1 8 0 104 452.507 11
Hi High (pH 8-9.5) 2.78 9.73 -58.11 0 8 -1 103 451.499 11

Activity (Go SEA)

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