UCSF

ZINC23991771

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 20 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) 3.25 8.44 -47.02 2 4 1 50 294.444 5
Hi High (pH 8-9.5) 3.71 7.43 -42.35 1 4 0 53 293.436 5

Activity (Go SEA)

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