UCSF

ZINC15085228

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 19 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) 1.54 4.37 -8.39 2 5 0 67 275.333 2
Hi High (pH 8-9.5) 1.72 3.48 -46.39 1 5 -1 69 274.325 2

Activity (Go SEA)

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