UCSF

ZINC19259998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 21 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) 2.78 6.29 -63.29 4 4 1 66 285.367 5
Hi High (pH 8-9.5) 2.78 5.9 -15.6 3 4 0 64 284.359 5

Activity (Go SEA)

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