UCSF

ZINC44683944

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 1.26 5.8 -33.77 2 2 1 16 213.37 3
Hi High (pH 8-9.5) 1.26 3.42 -2.35 1 2 0 15 212.362 3
Lo Low (pH 4.5-6) 1.26 4.4 -42.11 2 2 1 20 213.37 3

Activity (Go SEA)

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