UCSF

ZINC35186504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) 3.61 2.62 -35.54 0 5 -1 70 352.244 4
Lo Low (pH 4.5-6) 3.61 2.57 -8.87 1 5 0 68 353.252 4

Activity (Go SEA)

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