UCSF

ZINC42254398

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 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) 1.54 2.94 -8.89 2 6 0 83 280.353 3
Mid Mid (pH 6-8) 1.72 1.48 -38.41 1 6 -1 90 279.345 3

Activity (Go SEA)

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