UCSF

ZINC12429128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 23 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) 3.17 -3.88 -12.51 3 5 0 77 329.425 3
Lo Low (pH 4.5-6) 3.17 -3.78 -39.6 4 5 1 78 330.433 3

Activity (Go SEA)

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