UCSF

ZINC52277830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 0.66 1.51 -36.96 3 4 1 55 187.263 6
Hi High (pH 8-9.5) 0.66 0.25 -7.56 2 4 0 50 186.255 6

Activity (Go SEA)

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