UCSF

ZINC16940439

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 24 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) 2.11 8.92 -25.32 2 4 0 66 318.376 0
Lo Low (pH 4.5-6) 4.72 4.97 -33.35 3 4 1 67 319.384 0
Lo Low (pH 4.5-6) 4.72 5.21 -75.19 4 4 2 69 320.392 0

Activity (Go SEA)

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