UCSF

ZINC40148060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 19 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) 4.67 7.61 -9.78 1 4 0 50 275.377 4
Lo Low (pH 4.5-6) 3.74 7.78 -26.83 2 4 1 48 276.385 5

Activity (Go SEA)

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