UCSF

ZINC43475567

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) 0.98 0.71 -45.25 4 4 1 66 240.323 8
Hi High (pH 8-9.5) 0.98 -0.64 -7.96 3 4 0 62 239.315 8

Activity (Go SEA)

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