UCSF

ZINC19785187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 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) 0.49 0.25 -45.11 3 5 1 59 267.349 5
Lo Low (pH 4.5-6) 0.49 2.6 -121.74 4 5 2 60 268.357 5

Activity (Go SEA)

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