UCSF

ZINC42439215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.25 6 -42.88 1 2 1 17 212.7 4
Hi High (pH 8-9.5) 2.25 3.65 -5.38 0 2 0 16 211.692 4

Activity (Go SEA)

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