UCSF

ZINC43248016

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.28 2.95 -42.63 4 4 1 60 296.46 4
Hi High (pH 8-9.5) 1.29 2.2 -9.7 3 4 0 58 295.452 4

Activity (Go SEA)

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