UCSF

ZINC43447020

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 1.66 3.81 -5.48 0 4 0 39 215.293 5
Lo Low (pH 4.5-6) 1.66 5.86 -33.29 1 4 1 40 216.301 5

Activity (Go SEA)

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