UCSF

ZINC62954179

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 1.69 5.08 -6.45 3 5 0 75 276.384 4
Lo Low (pH 4.5-6) 1.69 5 -35.81 4 5 1 76 277.392 4
Lo Low (pH 4.5-6) 1.69 5.39 -34.5 4 5 1 76 277.392 4

Activity (Go SEA)

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