UCSF

ZINC35390936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) -0.74 5.77 -28.71 2 5 0 77 242.319 5
Hi High (pH 8-9.5) -0.74 4.7 -51.83 1 5 -1 72 241.311 5

Activity (Go SEA)

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