UCSF

ZINC49750595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 1.49 3.37 -5.73 0 4 0 39 201.266 6
Lo Low (pH 4.5-6) 1.49 5.55 -36.97 1 4 1 40 202.274 6

Activity (Go SEA)

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