UCSF

ZINC10557476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2007 26 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) 1.73 -0.61 -14.62 1 5 0 62 355.413 4
Lo Low (pH 4.5-6) 1.73 -0.37 -50.5 2 5 1 63 356.421 4

Activity (Go SEA)

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