UCSF

ZINC40762492

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 3.49 5.09 -9.98 0 2 0 22 259.255 2
Lo Low (pH 4.5-6) 3.49 6.4 -27.56 1 2 1 23 260.263 2

Activity (Go SEA)

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