UCSF

ZINC35527421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 3.79 12.45 -17.09 1 7 0 66 470.552 4
Lo Low (pH 4.5-6) 3.79 14.66 -50.92 2 7 1 67 471.56 4

Activity (Go SEA)

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