UCSF

ZINC19820177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 29 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) 3.89 9.7 -14.78 1 6 0 72 405.479 5
Hi High (pH 8-9.5) 3.96 8.79 -46.35 0 6 -1 78 404.471 5

Activity (Go SEA)

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