UCSF

ZINC35608410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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) 1.11 -0.89 -55.23 2 5 -1 85 277.222 4
Lo Low (pH 4.5-6) 0.65 -0.16 -9.26 3 5 0 82 278.23 4

Activity (Go SEA)

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