UCSF

ZINC15084522

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 23 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) 1.41 2.31 -16.57 4 6 0 102 332.429 2
Lo Low (pH 4.5-6) 1.41 2.56 -38.77 5 6 1 104 333.437 2

Activity (Go SEA)

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