UCSF

ZINC25463975

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 3.32 7.73 -22 1 6 0 73 391.518 5
Hi High (pH 8-9.5) 3.32 7.78 -60.94 0 6 -1 75 390.51 5

Activity (Go SEA)

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