UCSF

ZINC44509702

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) -0.07 0.8 -19.96 1 5 0 83 225.273 4
Lo Low (pH 4.5-6) -0.07 1.25 -51.61 2 5 1 84 226.281 4

Activity (Go SEA)

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