UCSF

ZINC11841356

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 25 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) 3.33 -1.08 -9.86 1 4 0 51 356.853 5
Lo Low (pH 4.5-6) 3.33 -0.97 -40.64 2 4 1 52 357.861 5

Activity (Go SEA)

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