UCSF

ZINC43898830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 Yes

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) 2.42 5.3 -38.26 2 3 1 29 249.378 5
Hi High (pH 8-9.5) 2.42 3.63 -2.92 1 3 0 24 248.37 5
Lo Low (pH 4.5-6) 2.42 7.13 -121.11 3 3 2 30 250.386 5

Activity (Go SEA)

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