UCSF

ZINC55177267

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 19 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) 1.17 6.54 -39.66 2 5 1 51 259.333 4
Lo Low (pH 4.5-6) 1.17 7.05 -83.92 3 5 2 52 260.341 4

Activity (Go SEA)

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