UCSF

ZINC05740762

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 28 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) 5.33 11.46 -11.41 1 4 0 55 388.854 5
Lo Low (pH 4.5-6) 5.33 11.74 -38.69 2 4 1 56 389.862 5

Activity (Go SEA)

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