UCSF

ZINC08840957

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 28 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) 4.14 -1.61 -12.41 1 5 0 66 404.507 6
Hi High (pH 8-9.5) 4.14 -1.03 -37.34 0 5 -1 68 403.499 6

Activity (Go SEA)

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