UCSF

ZINC14532709

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 35 No

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) 3.88 10.46 -14.44 2 9 0 104 500.621 13
Lo Low (pH 4.5-6) 3.88 10.74 -38.08 3 9 1 105 501.629 13

Activity (Go SEA)

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