UCSF

ZINC42880344

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.10 2.97 -39.8 3 5 1 55 279.36 4
Lo Low (pH 4.5-6) 2.10 4.18 -119.69 4 5 2 60 280.368 4

Activity (Go SEA)

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