UCSF

ZINC42255368

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 3.07 8.45 -54.56 0 3 -1 53 258.322 1
Lo Low (pH 4.5-6) 3.07 8.76 -48.49 1 3 0 54 259.33 1

Activity (Go SEA)

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