UCSF

ZINC35609272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) -1.12 -5.07 -50.52 2 7 -1 107 226.212 4
Lo Low (pH 4.5-6) -1.12 -5.79 -16.06 3 7 0 104 227.22 4

Activity (Go SEA)

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