UCSF

ZINC42880469

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.70 3.99 -51.6 3 4 1 55 278.353 5
Mid Mid (pH 6-8) 2.70 2.62 -7.29 2 4 0 51 277.345 5

Activity (Go SEA)

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