UCSF

ZINC35016981

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.36 7.36 -33.98 2 2 1 30 236.36 5
Hi High (pH 8-9.5) 3.36 5.99 -4.27 1 2 0 25 235.352 5

Activity (Go SEA)

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