UCSF

ZINC35484347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 33 No

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) 2.69 11.69 -62.79 1 8 0 91 448.523 7
Lo Low (pH 4.5-6) 2.69 10.94 -43.6 2 8 1 89 449.531 7

Activity (Go SEA)

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