UCSF

ZINC44648462

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 0.77 4.51 -49.82 3 7 1 89 281.727 5
Hi High (pH 8-9.5) 0.77 3.16 -17.35 2 7 0 85 280.719 5

Activity (Go SEA)

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