UCSF

ZINC43445918

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 0.44 5.8 -48.65 3 4 1 63 238.307 6
Hi High (pH 8-9.5) 0.44 5.5 -8.05 2 4 0 62 237.299 6

Activity (Go SEA)

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