UCSF

ZINC52271274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 3.06 4.6 -35.85 3 2 1 37 212.7 3
Hi High (pH 8-9.5) 3.06 5.36 -27.17 2 2 0 40 211.692 3

Activity (Go SEA)

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