UCSF

ZINC19411281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 0.51 3.72 -55.25 2 5 1 53 281.405 2
Lo Low (pH 4.5-6) 0.51 4.16 -98.05 3 5 2 54 282.413 2

Activity (Go SEA)

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