UCSF

ZINC53116569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 1.67 5.1 -52.78 2 5 -1 89 280.344 4
Lo Low (pH 4.5-6) 1.67 3.38 -9.88 3 5 0 87 281.352 4

Activity (Go SEA)

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